4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide

C18H25ClN4O2 — CID 126434894

IUPAC4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCCN1C[C@H](CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O
InChIInChI=1S/C18H25ClN4O2/c1-2-21-13-14(10-17(21)24)12-20-18(25)23-8-6-22(7-9-23)16-5-3-4-15(19)11-16/h3-5,11,14H,2,6-10,12-13H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeyPWLWACXAZRXADL-AWEZNQCLSA-N
MW364.88 g/mol
LogP2.04
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 126434894) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID126434894
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCCN1C[C@H](CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O
InChIInChI=1S/C18H25ClN4O2/c1-2-21-13-14(10-17(21)24)12-20-18(25)23-8-6-22(7-9-23)16-5-3-4-15(19)11-16/h3-5,11,14H,2,6-10,12-13H2,1H3,(H,20,25)/t14-/m0/s1
InChIKeyPWLWACXAZRXADL-AWEZNQCLSA-N
XLogP2.04
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17444568
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CID 7490033
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CID 6467004
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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide (CID 126434894) is 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide is CCN1C[C@H](CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1=O.
What is the InChIKey of 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is PWLWACXAZRXADL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-2-21-13-14(10-17(21)24)12-20-18(25)23-8-6-22(7-9-23)16-5-3-4-15(19)11-16/h3-5,11,14H,2,6-10,12-13H2,1H3,(H,20,25)/t14-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 364.88 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126434894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).