N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide

C25H31N3O4 — CID 55965715

IUPACN-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)CC1
InChIInChI=1S/C25H31N3O4/c29-23(12-11-19-7-2-1-3-8-19)26-20-13-16-27(17-14-20)24(30)21-9-4-5-15-28(21)25(31)22-10-6-18-32-22/h1-3,6-8,10,18,20-21H,4-5,9,11-17H2,(H,26,29)
InChIKeyUTSKCCMZEPAALJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.01
Rot. Bonds6

About N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55965715) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55965715
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)CC1
InChIInChI=1S/C25H31N3O4/c29-23(12-11-19-7-2-1-3-8-19)26-20-13-16-27(17-14-20)24(30)21-9-4-5-15-28(21)25(31)22-10-6-18-32-22/h1-3,6-8,10,18,20-21H,4-5,9,11-17H2,(H,26,29)
InChIKeyUTSKCCMZEPAALJ-UHFFFAOYSA-N
XLogP3.01
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
1-[2-[4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55981303
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55941269
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55975025

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide (CID 55965715) is N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCN(C(=O)C2CCCCN2C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is UTSKCCMZEPAALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c29-23(12-11-19-7-2-1-3-8-19)26-20-13-16-27(17-14-20)24(30)21-9-4-5-15-28(21)25(31)22-10-6-18-32-22/h1-3,6-8,10,18,20-21H,4-5,9,11-17H2,(H,26,29).
What are the key properties of N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 437.54 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55965715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).