N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

C25H40N4O — CID 86959379

IUPACN-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1CCCC(N2CCN(CC(=O)NC(c3ccccc3)C3CCCCC3)CC2)C1
InChIInChI=1S/C25H40N4O/c1-27-14-8-13-23(19-27)29-17-15-28(16-18-29)20-24(30)26-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2,4-5,9-10,22-23,25H,3,6-8,11-20H2,1H3,(H,26,30)
InChIKeyMAWNKKIZRDRVJR-UHFFFAOYSA-N
MW412.62 g/mol
LogP3.14
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide

N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 86959379) has the molecular formula C25H40N4O and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
PubChem CID86959379
Molecular FormulaC25H40N4O
Molecular Weight412.62 g/mol
Exact Mass412.32
IUPAC NameN-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCN1CCCC(N2CCN(CC(=O)NC(c3ccccc3)C3CCCCC3)CC2)C1
InChIInChI=1S/C25H40N4O/c1-27-14-8-13-23(19-27)29-17-15-28(16-18-29)20-24(30)26-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2,4-5,9-10,22-23,25H,3,6-8,11-20H2,1H3,(H,26,30)
InChIKeyMAWNKKIZRDRVJR-UHFFFAOYSA-N
XLogP3.14
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 124860560
2-[4-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 60502756
N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959463
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125119984
1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
CID 124778855
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[cyclohexyl(phenyl)methyl]acetamide;hydrochloride
CID 120773094
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 146132057
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide (CID 86959379) is N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is CN1CCCC(N2CCN(CC(=O)NC(c3ccccc3)C3CCCCC3)CC2)C1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is MAWNKKIZRDRVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O/c1-27-14-8-13-23(19-27)29-17-15-28(16-18-29)20-24(30)26-25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2,4-5,9-10,22-23,25H,3,6-8,11-20H2,1H3,(H,26,30).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide?
N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 412.62 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86959379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).