(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide

C23H37N3O3 — CID 8721271

IUPAC(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1OC
InChIInChI=1S/C23H37N3O3/c1-17-7-5-6-8-20(17)24-23(27)18(2)26-13-11-25(12-14-26)16-19-9-10-21(28-3)22(15-19)29-4/h9-10,15,17-18,20H,5-8,11-14,16H2,1-4H3,(H,24,27)/t17-,18-,20-/m1/s1
InChIKeyRAQBRLNIGUBDTB-QWFCFKBJSA-N
MW403.57 g/mol
LogP2.90
Rot. Bonds7

About (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide

(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (PubChem CID 8721271) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
PubChem CID8721271
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
SMILESCOc1ccc(CN2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1OC
InChIInChI=1S/C23H37N3O3/c1-17-7-5-6-8-20(17)24-23(27)18(2)26-13-11-25(12-14-26)16-19-9-10-21(28-3)22(15-19)29-4/h9-10,15,17-18,20H,5-8,11-14,16H2,1-4H3,(H,24,27)/t17-,18-,20-/m1/s1
InChIKeyRAQBRLNIGUBDTB-QWFCFKBJSA-N
XLogP2.90
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 9399060
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8721291
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 8721161
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
1-[(3,4-dimethoxyphenyl)methyl]-4-propan-2-ylpiperazine
CID 764481
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1S,2R)-2-methylcyclohexyl]oxamide
CID 40720382
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide (CID 8721271) is (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide is COc1ccc(CN2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1OC.
What is the InChIKey of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is RAQBRLNIGUBDTB-QWFCFKBJSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-17-7-5-6-8-20(17)24-23(27)18(2)26-13-11-25(12-14-26)16-19-9-10-21(28-3)22(15-19)29-4/h9-10,15,17-18,20H,5-8,11-14,16H2,1-4H3,(H,24,27)/t17-,18-,20-/m1/s1.
What are the key properties of (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide?
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 403.57 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 8721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).