(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C25H38N4O4 — CID 92728921

IUPAC(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1
InChIInChI=1S/C25H38N4O4/c1-25(2,3)24(32)27-21-9-7-19(8-10-21)23(31)29-13-4-6-20(18-29)22(30)26-11-5-12-28-14-16-33-17-15-28/h7-10,20H,4-6,11-18H2,1-3H3,(H,26,30)(H,27,32)/t20-/m1/s1
InChIKeyBYEQHKIBDXVDRJ-HXUWFJFHSA-N
MW458.60 g/mol
LogP2.36
Rot. Bonds7

About (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 92728921) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID92728921
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC Name(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1
InChIInChI=1S/C25H38N4O4/c1-25(2,3)24(32)27-21-9-7-19(8-10-21)23(31)29-13-4-6-20(18-29)22(30)26-11-5-12-28-14-16-33-17-15-28/h7-10,20H,4-6,11-18H2,1-3H3,(H,26,30)(H,27,32)/t20-/m1/s1
InChIKeyBYEQHKIBDXVDRJ-HXUWFJFHSA-N
XLogP2.36
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide 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

1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997
N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804521
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 53006151
N-butyl-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 46384493
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42906722
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 92728921) is (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCCN3CCOCC3)C2)cc1.
What is the InChIKey of (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is BYEQHKIBDXVDRJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-25(2,3)24(32)27-21-9-7-19(8-10-21)23(31)29-13-4-6-20(18-29)22(30)26-11-5-12-28-14-16-33-17-15-28/h7-10,20H,4-6,11-18H2,1-3H3,(H,26,30)(H,27,32)/t20-/m1/s1.
What are the key properties of (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 92728921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).