N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide

C21H30N4O2 — CID 126449902

IUPACN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c26-20-14-17(16-25(20)19-8-4-5-9-19)15-22-21(27)24-12-10-23(11-13-24)18-6-2-1-3-7-18/h1-3,6-7,17,19H,4-5,8-16H2,(H,22,27)/t17-/m1/s1
InChIKeyOZCLHTUIHXBSKQ-QGZVFWFLSA-N
MW370.50 g/mol
LogP2.31
Rot. Bonds4

About N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 126449902) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
PubChem CID126449902
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H30N4O2/c26-20-14-17(16-25(20)19-8-4-5-9-19)15-22-21(27)24-12-10-23(11-13-24)18-6-2-1-3-7-18/h1-3,6-7,17,19H,4-5,8-16H2,(H,22,27)/t17-/m1/s1
InChIKeyOZCLHTUIHXBSKQ-QGZVFWFLSA-N
XLogP2.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide (CID 126449902) is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide is O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is OZCLHTUIHXBSKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-20-14-17(16-25(20)19-8-4-5-9-19)15-22-21(27)24-12-10-23(11-13-24)18-6-2-1-3-7-18/h1-3,6-7,17,19H,4-5,8-16H2,(H,22,27)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide?
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 126449902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).