2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide

C21H27N3O2 — CID 68551003

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESNCC1CCN(C(C(N)=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c22-14-16-10-12-24(13-11-16)20(21(23)25)18-6-8-19(9-7-18)26-15-17-4-2-1-3-5-17/h1-9,16,20H,10-15,22H2,(H2,23,25)
InChIKeyYSVFKCHNRLKITM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide

2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide (PubChem CID 68551003) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide
PubChem CID68551003
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide
SMILESNCC1CCN(C(C(N)=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O2/c22-14-16-10-12-24(13-11-16)20(21(23)25)18-6-8-19(9-7-18)26-15-17-4-2-1-3-5-17/h1-9,16,20H,10-15,22H2,(H2,23,25)
InChIKeyYSVFKCHNRLKITM-UHFFFAOYSA-N
XLogP2.46
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-2-(4-phenylmethoxyphenyl)acetic acid
CID 97198243
benzyl (NE)-N-[amino-[4-(aminomethyl)piperidin-1-yl]methylidene]carbamate
CID 11130036
4-phenylmethoxybenzoic acid
CID 68896574
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
1-[1-(4-phenylmethoxyphenyl)pentyl]piperidine-4-carboxylic acid
CID 5013818
1-[[4-(dimethylamino)phenyl]-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5038797
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 54457720
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
2-(4-phenylmethoxyphenyl)pentanediamide
CID 20546418
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
CID 65245145
methyl 4-[1-(2-amino-2-oxo-1-phenylethyl)piperidin-4-yl]butanoate
CID 175254231

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide (CID 68551003) is 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide is NCC1CCN(C(C(N)=O)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is YSVFKCHNRLKITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-14-16-10-12-24(13-11-16)20(21(23)25)18-6-8-19(9-7-18)26-15-17-4-2-1-3-5-17/h1-9,16,20H,10-15,22H2,(H2,23,25).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-2-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 68551003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).