1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

C20H24N4O3 — CID 74659925

IUPAC1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C2CC(c3ccco3)NN2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(21-15-5-2-1-3-6-15)14-8-10-24(11-9-14)20(26)17-13-16(22-23-17)18-7-4-12-27-18/h1-7,12,14,16-17,22-23H,8-11,13H2,(H,21,25)
InChIKeyXHCHJESSDKXNKX-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.06
Rot. Bonds4

About 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide

1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 74659925) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
PubChem CID74659925
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)C2CC(c3ccco3)NN2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(21-15-5-2-1-3-6-15)14-8-10-24(11-9-14)20(26)17-13-16(22-23-17)18-7-4-12-27-18/h1-7,12,14,16-17,22-23H,8-11,13H2,(H,21,25)
InChIKeyXHCHJESSDKXNKX-UHFFFAOYSA-N
XLogP2.06
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)pyrazolidin-3-yl]-(2-phenylmorpholin-4-yl)methanone
CID 78153988
1'-[5-(furan-2-yl)pyrazolidine-3-carbonyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 73304969
1-(3-aminocyclopentanecarbonyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119692604
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N-(3-fluoro-4-methylphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551287
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide (CID 74659925) is 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)C2CC(c3ccco3)NN2)CC1.
What is the InChIKey of 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is XHCHJESSDKXNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(21-15-5-2-1-3-6-15)14-8-10-24(11-9-14)20(26)17-13-16(22-23-17)18-7-4-12-27-18/h1-7,12,14,16-17,22-23H,8-11,13H2,(H,21,25).
What are the key properties of 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide?
1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)pyrazolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 74659925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).