1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide

C16H24N2O3 — CID 4074750

IUPAC1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C16H24N2O3/c1-4-7-17-15(19)13-6-5-8-18(10-13)16(20)14-9-11(2)21-12(14)3/h9,13H,4-8,10H2,1-3H3,(H,17,19)
InChIKeyOVQWTEIMAOPAPW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide

1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide (PubChem CID 4074750) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
PubChem CID4074750
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2cc(C)oc2C)C1
InChIInChI=1S/C16H24N2O3/c1-4-7-17-15(19)13-6-5-8-18(10-13)16(20)14-9-11(2)21-12(14)3/h9,13H,4-8,10H2,1-3H3,(H,17,19)
InChIKeyOVQWTEIMAOPAPW-UHFFFAOYSA-N
XLogP2.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-butan-2-yl]-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 815151
1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4285066
ethyl 1-[1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 42779984
N-(1-benzylpiperidin-4-yl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-3-carboxamide
CID 42780010
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
CID 94365647
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
5-[3-(butylcarbamoyl)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821560
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
1-[3-[4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166411385

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide (CID 4074750) is 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)c2cc(C)oc2C)C1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is OVQWTEIMAOPAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-7-17-15(19)13-6-5-8-18(10-13)16(20)14-9-11(2)21-12(14)3/h9,13H,4-8,10H2,1-3H3,(H,17,19).
What are the key properties of 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide?
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 4074750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).