4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide

C25H41N3O5 — CID 70954283

IUPAC4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CC[C@@H](CC(=O)NC(C)C)NC2)ccc1OC
InChIInChI=1S/C25H41N3O5/c1-17(2)27-24(29)15-20-9-10-21(16-26-20)28(18(3)4)25(30)19-8-11-22(32-6)23(14-19)33-13-7-12-31-5/h8,11,14,17-18,20-21,26H,7,9-10,12-13,15-16H2,1-6H3,(H,27,29)/t20-,21?/m0/s1
InChIKeyZSNCFPFKFADQBD-BGERDNNASA-N
MW463.62 g/mol
LogP3.00
Rot. Bonds12

About 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide

4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 70954283) has the molecular formula C25H41N3O5 and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide
PubChem CID70954283
Molecular FormulaC25H41N3O5
Molecular Weight463.62 g/mol
Exact Mass463.30
IUPAC Name4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CC[C@@H](CC(=O)NC(C)C)NC2)ccc1OC
InChIInChI=1S/C25H41N3O5/c1-17(2)27-24(29)15-20-9-10-21(16-26-20)28(18(3)4)25(30)19-8-11-22(32-6)23(14-19)33-13-7-12-31-5/h8,11,14,17-18,20-21,26H,7,9-10,12-13,15-16H2,1-6H3,(H,27,29)/t20-,21?/m0/s1
InChIKeyZSNCFPFKFADQBD-BGERDNNASA-N
XLogP3.00
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,6S)-6-[2-(butylamino)-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide;hydrochloride
CID 68662009
N-[6-[2-[cyclopropyl-(2-methoxyacetyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 72535005
N-[(3R,6R)-6-[2-[cyclopropyl(3-methoxypropanoyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 25001944
N-[(3R,6S)-6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 68662038
N-[6-[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 70910489
N-[(3R,6R)-6-[2-[cyclopropyl(3-methoxypropanoyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide;hydrochloride
CID 25001943
N'-cyclopropyl-N'-[2-[5-[[4-methoxy-3-(3-methoxypropoxy)benzoyl]-propan-2-ylamino]piperidin-2-yl]ethyl]pentanediamide
CID 59223922
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
N-[(3R,6R)-6-[2-[cyclopropyl-(3-hydroxy-3-methylbutanoyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide;hydrochloride
CID 68662302
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
4-methoxy-3-(3-methoxypropoxy)-N-[5-(phenoxymethyl)piperidin-3-yl]-N-propan-2-ylbenzamide
CID 70910446
4-methoxy-3-(3-methoxypropoxy)-N-[(5S)-5-(phenoxymethyl)piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224270

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide (CID 70954283) is 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)C2CC[C@@H](CC(=O)NC(C)C)NC2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is ZSNCFPFKFADQBD-BGERDNNASA-N. The full InChI is InChI=1S/C25H41N3O5/c1-17(2)27-24(29)15-20-9-10-21(16-26-20)28(18(3)4)25(30)19-8-11-22(32-6)23(14-19)33-13-7-12-31-5/h8,11,14,17-18,20-21,26H,7,9-10,12-13,15-16H2,1-6H3,(H,27,29)/t20-,21?/m0/s1.
What are the key properties of 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide?
4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 463.62 g/mol, XLogP of 3.00, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 70954283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).