3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide

C21H31N3O3 — CID 119763933

IUPAC3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-19-8-3-2-5-15(19)14-20(25)24-11-9-18(10-12-24)23-21(26)16-6-4-7-17(22)13-16/h2-3,5,8,16-18H,4,6-7,9-14,22H2,1H3,(H,23,26)
InChIKeyOZEHWMVSWFENAU-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.86
Rot. Bonds5

About 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide

3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 119763933) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
PubChem CID119763933
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-19-8-3-2-5-15(19)14-20(25)24-11-9-18(10-12-24)23-21(26)16-6-4-7-17(22)13-16/h2-3,5,8,16-18H,4,6-7,9-14,22H2,1H3,(H,23,26)
InChIKeyOZEHWMVSWFENAU-UHFFFAOYSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119763931
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51129983
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenyl)ethanone
CID 110799375
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
3-amino-N-[1-(2-phenylbutanoyl)piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763642
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide (CID 119763933) is 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide is COc1ccccc1CC(=O)N1CCC(NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is OZEHWMVSWFENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-19-8-3-2-5-15(19)14-20(25)24-11-9-18(10-12-24)23-21(26)16-6-4-7-17(22)13-16/h2-3,5,8,16-18H,4,6-7,9-14,22H2,1H3,(H,23,26).
What are the key properties of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).