2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide

C22H27N3O2 — CID 121497565

IUPAC2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCCC(CN)C3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-24-21(26)13-16-4-6-18(7-5-16)19-8-10-20(11-9-19)22(27)25-12-2-3-17(14-23)15-25/h4-11,17H,2-3,12-15,23H2,1H3,(H,24,26)
InChIKeyQAWSHFFWISKNNG-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide

2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide (PubChem CID 121497565) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide
PubChem CID121497565
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCCC(CN)C3)cc2)cc1
InChIInChI=1S/C22H27N3O2/c1-24-21(26)13-16-4-6-18(7-5-16)19-8-10-20(11-9-19)22(27)25-12-2-3-17(14-23)15-25/h4-11,17H,2-3,12-15,23H2,1H3,(H,24,26)
InChIKeyQAWSHFFWISKNNG-UHFFFAOYSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126450765
2-[4-[4-[(2S)-2-(2-aminoethyl)morpholine-4-carbonyl]phenyl]phenyl]-N-methylacetamide
CID 126432738
[3-(aminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 119486906
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
N-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119310763
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
2-[4-(3-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide (CID 121497565) is 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(-c2ccc(C(=O)N3CCCC(CN)C3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide?
The InChIKey is QAWSHFFWISKNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-21(26)13-16-4-6-18(7-5-16)19-8-10-20(11-9-19)22(27)25-12-2-3-17(14-23)15-25/h4-11,17H,2-3,12-15,23H2,1H3,(H,24,26).
What are the key properties of 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide?
2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-(aminomethyl)piperidine-1-carbonyl]phenyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 121497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).