N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide

C22H33ClN4O2 — CID 93221406

IUPACN-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H33ClN4O2/c1-3-25(4-2)21(28)20(17-8-5-6-9-17)26-12-14-27(15-13-26)22(29)24-19-11-7-10-18(23)16-19/h7,10-11,16-17,20H,3-6,8-9,12-15H2,1-2H3,(H,24,29)/t20-/m0/s1
InChIKeyGUUCNHQPHJNADZ-FQEVSTJZSA-N
MW420.99 g/mol
LogP3.92
Rot. Bonds6

About N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 93221406) has the molecular formula C22H33ClN4O2 and a molecular weight of 420.99 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID93221406
Molecular FormulaC22H33ClN4O2
Molecular Weight420.99 g/mol
Exact Mass420.23
IUPAC NameN-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H33ClN4O2/c1-3-25(4-2)21(28)20(17-8-5-6-9-17)26-12-14-27(15-13-26)22(29)24-19-11-7-10-18(23)16-19/h7,10-11,16-17,20H,3-6,8-9,12-15H2,1-2H3,(H,24,29)/t20-/m0/s1
InChIKeyGUUCNHQPHJNADZ-FQEVSTJZSA-N
XLogP3.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 46027296
4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 46027294
N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide (CID 93221406) is N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide is CCN(CC)C(=O)[C@H](C1CCCC1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is GUUCNHQPHJNADZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33ClN4O2/c1-3-25(4-2)21(28)20(17-8-5-6-9-17)26-12-14-27(15-13-26)22(29)24-19-11-7-10-18(23)16-19/h7,10-11,16-17,20H,3-6,8-9,12-15H2,1-2H3,(H,24,29)/t20-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 420.99 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(1S)-1-cyclopentyl-2-(diethylamino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 93221406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).