N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide

C17H26N4O — CID 15636958

IUPACN-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N4O/c1-2-19-9-8-15(14-19)18-17(22)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,18,22)
InChIKeyVQSLLHOIXUDNOA-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.61
Rot. Bonds3

About N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide

N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 15636958) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID15636958
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H26N4O/c1-2-19-9-8-15(14-19)18-17(22)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,18,22)
InChIKeyVQSLLHOIXUDNOA-UHFFFAOYSA-N
XLogP1.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
CID 86831167
N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270
4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 112835200
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide (CID 15636958) is N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide is CCN1CCC(NC(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is VQSLLHOIXUDNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-2-19-9-8-15(14-19)18-17(22)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3,(H,18,22).
What are the key properties of N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide?
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 15636958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).