1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide

C20H36N4O3 — CID 78897216

IUPAC1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(CC(=O)NC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C20H36N4O3/c1-3-4-5-10-21-20(27)17-6-11-23(12-7-17)15-19(26)22-18-8-13-24(14-9-18)16(2)25/h17-18H,3-15H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyJORNLJLVCWLLSX-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.13
Rot. Bonds8

About 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide

1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 78897216) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
PubChem CID78897216
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(CC(=O)NC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C20H36N4O3/c1-3-4-5-10-21-20(27)17-6-11-23(12-7-17)15-19(26)22-18-8-13-24(14-9-18)16(2)25/h17-18H,3-15H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyJORNLJLVCWLLSX-UHFFFAOYSA-N
XLogP1.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.13
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-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
N-(1-acetylpiperidin-4-yl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 78847459
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
2-[7-(carboxymethyl)-4-(2-oxoethyl)-10-[2-oxo-2-[[1-[2-oxo-2-(pentylamino)ethyl]piperidin-4-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639963
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
1-[2-(butylcarbamoylamino)-2-oxoethyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55911947

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide (CID 78897216) is 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(CC(=O)NC2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is JORNLJLVCWLLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-3-4-5-10-21-20(27)17-6-11-23(12-7-17)15-19(26)22-18-8-13-24(14-9-18)16(2)25/h17-18H,3-15H2,1-2H3,(H,21,27)(H,22,26).
What are the key properties of 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide?
1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 78897216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).