N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C21H26N4O2 — CID 17445165

IUPACN-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)N1CCCC1
InChIInChI=1S/C21H26N4O2/c26-20(24-10-3-4-11-24)16-23-12-14-25(15-13-23)21(27)22-19-9-5-7-17-6-1-2-8-18(17)19/h1-2,5-9H,3-4,10-16H2,(H,22,27)
InChIKeyAVTFLXJJYLXEQH-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.61
Rot. Bonds3

About N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 17445165) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
PubChem CID17445165
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)N1CCCC1
InChIInChI=1S/C21H26N4O2/c26-20(24-10-3-4-11-24)16-23-12-14-25(15-13-23)21(27)22-19-9-5-7-17-6-1-2-8-18(17)19/h1-2,5-9H,3-4,10-16H2,(H,22,27)
InChIKeyAVTFLXJJYLXEQH-UHFFFAOYSA-N
XLogP2.61
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
4-[2-(cyclopropylamino)-2-oxoethyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 30705203
N-naphthalen-1-yl-4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxamide
CID 67493528
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
4-(furan-2-ylmethyl)-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 17379875
N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 112824843
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 17445165) is N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2cccc3ccccc23)CC1)N1CCCC1.
What is the InChIKey of N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is AVTFLXJJYLXEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(24-10-3-4-11-24)16-23-12-14-25(15-13-23)21(27)22-19-9-5-7-17-6-1-2-8-18(17)19/h1-2,5-9H,3-4,10-16H2,(H,22,27).
What are the key properties of N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17445165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).