1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C20H37N3O3 — CID 55909529

IUPAC1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C20H37N3O3/c1-15-6-4-7-18(16(15)2)22-19(24)14-23-11-8-17(9-12-23)20(25)21-10-5-13-26-3/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWQVSOBNPMKSAPM-UHFFFAOYSA-N
MW367.53 g/mol
LogP1.79
Rot. Bonds8

About 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55909529) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55909529
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Name1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(=O)NC2CCCC(C)C2C)CC1
InChIInChI=1S/C20H37N3O3/c1-15-6-4-7-18(16(15)2)22-19(24)14-23-11-8-17(9-12-23)20(25)21-10-5-13-26-3/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyWQVSOBNPMKSAPM-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119926459
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-(3-methoxypropyl)-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-4-carboxamide
CID 55988482
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55909529) is 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(=O)NC2CCCC(C)C2C)CC1.
What is the InChIKey of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is WQVSOBNPMKSAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-15-6-4-7-18(16(15)2)22-19(24)14-23-11-8-17(9-12-23)20(25)21-10-5-13-26-3/h15-18H,4-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 367.53 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55909529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).