1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide

C20H31N3O3 — CID 55980146

IUPAC1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)c2ccco2)CC1)CN1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-16(15-22-9-3-2-4-10-22)14-21-19(24)17-7-11-23(12-8-17)20(25)18-6-5-13-26-18/h5-6,13,16-17H,2-4,7-12,14-15H2,1H3,(H,21,24)
InChIKeyQAQLWPLJCFIPHP-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.37
Rot. Bonds6

About 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 55980146) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID55980146
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCC(CNC(=O)C1CCN(C(=O)c2ccco2)CC1)CN1CCCCC1
InChIInChI=1S/C20H31N3O3/c1-16(15-22-9-3-2-4-10-22)14-21-19(24)17-7-11-23(12-8-17)20(25)18-6-5-13-26-18/h5-6,13,16-17H,2-4,7-12,14-15H2,1H3,(H,21,24)
InChIKeyQAQLWPLJCFIPHP-UHFFFAOYSA-N
XLogP2.37
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41089696
4-(furan-2-carbonyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111167067
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-(2-butan-2-ylphenyl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497480
N-[2-[(2R)-butan-2-yl]phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 7449934
1-(furan-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 32625582
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46419931

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide (CID 55980146) is 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide is CC(CNC(=O)C1CCN(C(=O)c2ccco2)CC1)CN1CCCCC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is QAQLWPLJCFIPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(15-22-9-3-2-4-10-22)14-21-19(24)17-7-11-23(12-8-17)20(25)18-6-5-13-26-18/h5-6,13,16-17H,2-4,7-12,14-15H2,1H3,(H,21,24).
What are the key properties of 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55980146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).