(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

C20H29ClN4O2 — CID 8704500

IUPAC(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN4O2/c1-15(19(26)23-20(27)22-16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,22,23,26,27)/t15-/m1/s1
InChIKeyCDTVNWVXYMRFCG-OAHLLOKOSA-N
MW392.93 g/mol
LogP3.01
Rot. Bonds4

About (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide

(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide (PubChem CID 8704500) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
PubChem CID8704500
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H29ClN4O2/c1-15(19(26)23-20(27)22-16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,22,23,26,27)/t15-/m1/s1
InChIKeyCDTVNWVXYMRFCG-OAHLLOKOSA-N
XLogP3.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 8686992
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249455
(2S)-N-(cyclopentylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250310
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8743246
N-(cyclohexylcarbamoyl)-2-(4-phenylpiperidin-1-yl)propanamide
CID 55544187
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
2-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclohexylcarbamoyl)propanamide
CID 55511454
1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906559
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 55354584
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
N-(cyclohexylcarbamoyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide (CID 8704500) is (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide is C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
The InChIKey is CDTVNWVXYMRFCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-15(19(26)23-20(27)22-16-7-3-2-4-8-16)24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,22,23,26,27)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide?
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide has a molecular weight of 392.93 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide is sourced from PubChem (CID 8704500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).