1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide

C16H28N2O3 — CID 103862358

IUPAC1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
SMILESCC(CO)CCCNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H28N2O3/c1-12(11-19)4-2-8-17-15(20)14-5-3-9-18(10-14)16(21)13-6-7-13/h12-14,19H,2-11H2,1H3,(H,17,20)
InChIKeyLIIIUJCBBODNMI-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.16
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide (PubChem CID 103862358) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
PubChem CID103862358
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
SMILESCC(CO)CCCNC(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H28N2O3/c1-12(11-19)4-2-8-17-15(20)14-5-3-9-18(10-14)16(21)13-6-7-13/h12-14,19H,2-11H2,1H3,(H,17,20)
InChIKeyLIIIUJCBBODNMI-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]propanoic acid
CID 43354917
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734
(2S)-4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107833948
4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107831751
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
(3R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 95623392
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide (CID 103862358) is 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide is CC(CO)CCCNC(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide?
The InChIKey is LIIIUJCBBODNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(11-19)4-2-8-17-15(20)14-5-3-9-18(10-14)16(21)13-6-7-13/h12-14,19H,2-11H2,1H3,(H,17,20).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide is sourced from PubChem (CID 103862358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).