2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

C22H35N3O — CID 51618800

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CN2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C22H35N3O/c1-17-9-10-18(2)21(15-17)19(3)23-22(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h9-10,15,19-20H,4-8,11-14,16H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyFWKOXNCXHZPLCF-IBGZPJMESA-N
MW357.54 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 51618800) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID51618800
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)CN2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C22H35N3O/c1-17-9-10-18(2)21(15-17)19(3)23-22(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h9-10,15,19-20H,4-8,11-14,16H2,1-3H3,(H,23,26)/t19-/m0/s1
InChIKeyFWKOXNCXHZPLCF-IBGZPJMESA-N
XLogP3.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 124752230
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperazin-1-ylacetamide
CID 60851256
N-[1-(2,5-dimethylphenyl)ethyl]-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 91841614
2-(4-cyclohexylpiperazin-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 90643116
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2-oxo-1,3-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 124755182
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 16549115
2-(1,4-diazepan-1-yl)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 62839015
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55865936
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626837
2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
(2S)-2-(2,4-dimethylphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetic acid
CID 97192195
N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
CID 71913541

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 51618800) is 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c([C@H](C)NC(=O)CN2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is FWKOXNCXHZPLCF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H35N3O/c1-17-9-10-18(2)21(15-17)19(3)23-22(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h9-10,15,19-20H,4-8,11-14,16H2,1-3H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 357.54 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 51618800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).