1-propylpiperidine-4-carboxamide

C9H18N2O — CID 18678413

IUPAC1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H18N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyDNBUALMNLLJERK-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds3

About 1-propylpiperidine-4-carboxamide

1-propylpiperidine-4-carboxamide (PubChem CID 18678413) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-propylpiperidine-4-carboxamide
PubChem CID18678413
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C9H18N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyDNBUALMNLLJERK-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-octadecylpiperidine-4-carboxamide
CID 4134920
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
1-propylpiperidine-4-carbothioamide
CID 39237916
1-(3,3-dimethylbutyl)piperidine-4-carboxamide
CID 20792956
(3S)-1-(1-propylpiperidin-4-yl)piperidine-3-carboxamide
CID 30982597
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
N-hydroxy-1-propylpiperidine-4-carboxamide;hydrochloride
CID 141032526
1-(6-methoxyhexyl)piperidine-4-carboxamide
CID 139907421
1-(methoxymethyl)piperidine-4-carboxamide
CID 78225485
1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
1-[4-[(N'-methyl-N-pentylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide
CID 111129273

Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidine-4-carboxamide?
The IUPAC name of 1-propylpiperidine-4-carboxamide (CID 18678413) is 1-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-propylpiperidine-4-carboxamide is CCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-propylpiperidine-4-carboxamide?
The InChIKey is DNBUALMNLLJERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-5-11-6-3-8(4-7-11)9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 1-propylpiperidine-4-carboxamide?
1-propylpiperidine-4-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 18678413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).