2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide

C21H27N3O — CID 120597159

IUPAC2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
SMILESCC1CCN(c2cccc(NC(=O)C(C)(N)c3ccccc3)c2)CC1
InChIInChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-10-6-9-18(15-19)23-20(25)21(2,22)17-7-4-3-5-8-17/h3-10,15-16H,11-14,22H2,1-2H3,(H,23,25)
InChIKeyVVZCREWAILQERI-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.74
Rot. Bonds4

About 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide

2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide (PubChem CID 120597159) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
PubChem CID120597159
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide
SMILESCC1CCN(c2cccc(NC(=O)C(C)(N)c3ccccc3)c2)CC1
InChIInChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-10-6-9-18(15-19)23-20(25)21(2,22)17-7-4-3-5-8-17/h3-10,15-16H,11-14,22H2,1-2H3,(H,23,25)
InChIKeyVVZCREWAILQERI-UHFFFAOYSA-N
XLogP3.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
4-[[[3-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]methyl]benzoic acid
CID 122085263
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596313
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 120595447
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide (CID 120597159) is 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide is CC1CCN(c2cccc(NC(=O)C(C)(N)c3ccccc3)c2)CC1.
What is the InChIKey of 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide?
The InChIKey is VVZCREWAILQERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-10-6-9-18(15-19)23-20(25)21(2,22)17-7-4-3-5-8-17/h3-10,15-16H,11-14,22H2,1-2H3,(H,23,25).
What are the key properties of 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide?
2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-phenylpropanamide is sourced from PubChem (CID 120597159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).