3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride

C19H30ClN3O3 — CID 119703515

IUPAC3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCCNC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(16-6-4-8-20-13-16)11-18(23)21-9-10-22-19(24)15-5-3-7-17(12-15)25-2;/h3,5,7,12,14,16,20H,4,6,8-11,13H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyOPPNHUVRGZCPDI-UHFFFAOYSA-N
MW383.92 g/mol
LogP1.99
Rot. Bonds8

About 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride

3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride (PubChem CID 119703515) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
PubChem CID119703515
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride
SMILESCOc1cccc(C(=O)NCCNC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(16-6-4-8-20-13-16)11-18(23)21-9-10-22-19(24)15-5-3-7-17(12-15)25-2;/h3,5,7,12,14,16,20H,4,6,8-11,13H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyOPPNHUVRGZCPDI-UHFFFAOYSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
3-piperidin-3-yl-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116594401
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[1-(3-methoxyphenyl)piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884221
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-3-ylbutanamide
CID 119847615
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119802538

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride (CID 119703515) is 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride is COc1cccc(C(=O)NCCNC(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The InChIKey is OPPNHUVRGZCPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-14(16-6-4-8-20-13-16)11-18(23)21-9-10-22-19(24)15-5-3-7-17(12-15)25-2;/h3,5,7,12,14,16,20H,4,6,8-11,13H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride?
3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-piperidin-3-ylbutanoylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119703515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).