(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide

C22H35N3O2 — CID 11928091

IUPAC(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN([C@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)CC2)c1
InChIInChI=1S/C22H35N3O2/c1-16-7-5-10-21(17(16)2)23-22(26)18(3)24-11-13-25(14-12-24)19-8-6-9-20(15-19)27-4/h6,8-9,15-18,21H,5,7,10-14H2,1-4H3,(H,23,26)/t16-,17+,18+,21-/m0/s1
InChIKeyBUVZJSHQAIVXQZ-OOSNJVJTSA-N
MW373.54 g/mol
LogP3.15
Rot. Bonds5

About (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide

(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 11928091) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID11928091
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN([C@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)CC2)c1
InChIInChI=1S/C22H35N3O2/c1-16-7-5-10-21(17(16)2)23-22(26)18(3)24-11-13-25(14-12-24)19-8-6-9-20(15-19)27-4/h6,8-9,15-18,21H,5,7,10-14H2,1-4H3,(H,23,26)/t16-,17+,18+,21-/m0/s1
InChIKeyBUVZJSHQAIVXQZ-OOSNJVJTSA-N
XLogP3.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide with MolForge

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Related Compounds

(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 11928092
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
(2S)-N-[(1S,2R)-2-methylcyclohexyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 124804974
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628459
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 11928052
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786309
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369
(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 100850192
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide (CID 11928091) is (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide is COc1cccc(N2CCN([C@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)CC2)c1.
What is the InChIKey of (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is BUVZJSHQAIVXQZ-OOSNJVJTSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16-7-5-10-21(17(16)2)23-22(26)18(3)24-11-13-25(14-12-24)19-8-6-9-20(15-19)27-4/h6,8-9,15-18,21H,5,7,10-14H2,1-4H3,(H,23,26)/t16-,17+,18+,21-/m0/s1.
What are the key properties of (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 11928091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).