(2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide

C24H29ClN4O2 — CID 25270655

IUPAC(2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H29ClN4O2/c25-20-8-4-9-21(18-20)28-16-14-27(15-17-28)13-11-26-23(30)22-10-5-12-29(22)24(31)19-6-2-1-3-7-19/h1-4,6-9,18,22H,5,10-17H2,(H,26,30)/t22-/m0/s1
InChIKeyFFPOLKNUUBEDBV-QFIPXVFZSA-N
MW440.98 g/mol
LogP2.88
Rot. Bonds6

About (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide

(2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 25270655) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID25270655
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name(2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C24H29ClN4O2/c25-20-8-4-9-21(18-20)28-16-14-27(15-17-28)13-11-26-23(30)22-10-5-12-29(22)24(31)19-6-2-1-3-7-19/h1-4,6-9,18,22H,5,10-17H2,(H,26,30)/t22-/m0/s1
InChIKeyFFPOLKNUUBEDBV-QFIPXVFZSA-N
XLogP2.88
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide (CID 25270655) is (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN1C(=O)c1ccccc1.
What is the InChIKey of (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FFPOLKNUUBEDBV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c25-20-8-4-9-21(18-20)28-16-14-27(15-17-28)13-11-26-23(30)22-10-5-12-29(22)24(31)19-6-2-1-3-7-19/h1-4,6-9,18,22H,5,10-17H2,(H,26,30)/t22-/m0/s1.
What are the key properties of (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide?
(2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25270655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).