N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C20H27N5O3 — CID 47045021

IUPACN-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C20H27N5O3/c26-18(15-4-3-12-24(14-15)20(28)23-10-1-2-11-23)22-16-5-7-17(8-6-16)25-13-9-21-19(25)27/h5-8,15H,1-4,9-14H2,(H,21,27)(H,22,26)
InChIKeyRAZKTFLGUHMFHL-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.08
Rot. Bonds3

About N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 47045021) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID47045021
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C20H27N5O3/c26-18(15-4-3-12-24(14-15)20(28)23-10-1-2-11-23)22-16-5-7-17(8-6-16)25-13-9-21-19(25)27/h5-8,15H,1-4,9-14H2,(H,21,27)(H,22,26)
InChIKeyRAZKTFLGUHMFHL-UHFFFAOYSA-N
XLogP2.08
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 25264119
4-methyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264121
4-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264262
3-[acetyl(methyl)amino]-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-1-carboxamide
CID 25264118
4-acetyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264263
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
2-[4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 46234542
(3S,5S)-N-phenyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidine-3-carboxamide
CID 23646020
Piperidine-1,3-dicarboxylic acid 3-sec-butylamide 1-[(4-fluoro-phenyl)-amide]
CID 646179
Piperidine-1,3-dicarboxylic acid 3-cyclopropylamide 1-[(4-fluoro-phenyl)-amide]
CID 654837
N~3~,N~3~-diethyl-N~1~-phenyl-1,3-piperidinedicarboxamide
CID 2980403
5-Cyclopropyl-5-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 16283504

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 47045021) is N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(N2CCNC2=O)cc1)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is RAZKTFLGUHMFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-18(15-4-3-12-24(14-15)20(28)23-10-1-2-11-23)22-16-5-7-17(8-6-16)25-13-9-21-19(25)27/h5-8,15H,1-4,9-14H2,(H,21,27)(H,22,26).
What are the key properties of N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47045021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).