N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

C20H29ClN4O2 — CID 46631275

IUPACN-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C20H29ClN4O2/c1-16(20(27)22-14-17-6-2-3-7-18(17)21)24-12-10-23(11-13-24)15-19(26)25-8-4-5-9-25/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,22,27)
InChIKeyKEXRSKIUYODWPV-UHFFFAOYSA-N
MW392.93 g/mol
LogP1.58
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 46631275) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID46631275
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C20H29ClN4O2/c1-16(20(27)22-14-17-6-2-3-7-18(17)21)24-12-10-23(11-13-24)15-19(26)25-8-4-5-9-25/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,22,27)
InChIKeyKEXRSKIUYODWPV-UHFFFAOYSA-N
XLogP1.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 30740454
N-[(2-chlorophenyl)methyl]-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507244
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432670
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522
N-[(2-chlorophenyl)methyl]-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide
CID 55432712
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774334
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 136513372
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide (CID 46631275) is N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide is CC(C(=O)NCc1ccccc1Cl)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is KEXRSKIUYODWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-16(20(27)22-14-17-6-2-3-7-18(17)21)24-12-10-23(11-13-24)15-19(26)25-8-4-5-9-25/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,22,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide?
N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 392.93 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46631275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).