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

C21H25N3O3 — CID 119763945

IUPAC3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C21H25N3O3/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/h2-8,13,18H,9-12,14,22H2,1H3,(H,23,26)
InChIKeyWZIQDYWSWSPFMJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.24
Rot. Bonds5

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

3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide (PubChem CID 119763945) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
PubChem CID119763945
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)c2cccc(N)c2)CC1
InChIInChI=1S/C21H25N3O3/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/h2-8,13,18H,9-12,14,22H2,1H3,(H,23,26)
InChIKeyWZIQDYWSWSPFMJ-UHFFFAOYSA-N
XLogP2.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
2-(difluoromethyl)-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56553769
(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
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119763931
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide (CID 119763945) is 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide 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]benzamide?
The InChIKey is WZIQDYWSWSPFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/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/h2-8,13,18H,9-12,14,22H2,1H3,(H,23,26).
What are the key properties of 3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide?
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.24, 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]benzamide is sourced from PubChem (CID 119763945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).