(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C21H33N3O2 — CID 18726870

IUPAC(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C[C@@H](CC2CCCCC2)C(N)=O)CC1
InChIInChI=1S/C21H33N3O2/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)16-18(21(22)25)15-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H2,22,25)/t18-/m1/s1
InChIKeyAUXXRTHHQHITHR-GOSISDBHSA-N
MW359.51 g/mol
LogP2.89
Rot. Bonds7

About (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 18726870) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID18726870
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(C[C@@H](CC2CCCCC2)C(N)=O)CC1
InChIInChI=1S/C21H33N3O2/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)16-18(21(22)25)15-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H2,22,25)/t18-/m1/s1
InChIKeyAUXXRTHHQHITHR-GOSISDBHSA-N
XLogP2.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
1-(1H-azepin-2-yl)-2-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 142633156
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 78639794
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 18956031
2-amino-1-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 70470498
(2S)-1-(2-amino-4-cyclohexylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 27026246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 18726870) is (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(C[C@@H](CC2CCCCC2)C(N)=O)CC1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is AUXXRTHHQHITHR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-26-20-10-6-5-9-19(20)24-13-11-23(12-14-24)16-18(21(22)25)15-17-7-3-2-4-8-17/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H2,22,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 359.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18726870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).