N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide

C18H32N2O3 — CID 126829314

IUPACN-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
SMILESCC(O)CCCCCC(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C18H32N2O3/c1-14(21)6-3-2-4-8-17(22)20-11-5-7-16(13-20)18(23)19-12-15-9-10-15/h14-16,21H,2-13H2,1H3,(H,19,23)
InChIKeyIADIKXJEYFCSAD-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.08
Rot. Bonds9

About N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide (PubChem CID 126829314) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
PubChem CID126829314
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
SMILESCC(O)CCCCCC(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C18H32N2O3/c1-14(21)6-3-2-4-8-17(22)20-11-5-7-16(13-20)18(23)19-12-15-9-10-15/h14-16,21H,2-13H2,1H3,(H,19,23)
InChIKeyIADIKXJEYFCSAD-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.08
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

N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 94202656
ethyl 6-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]hexanoate
CID 95346670
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
CID 126804577
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide (CID 126829314) is N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide is CC(O)CCCCCC(=O)N1CCCC(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide?
The InChIKey is IADIKXJEYFCSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(21)6-3-2-4-8-17(22)20-11-5-7-16(13-20)18(23)19-12-15-9-10-15/h14-16,21H,2-13H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 126829314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).