N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide

C16H25N3O — CID 105060539

IUPACN-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)(CN)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-13-7-6-10-19(11-13)15(20)18-16(2,12-17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3,(H,18,20)
InChIKeyOYEDLTAWUCKHLQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.30
Rot. Bonds3

About N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide

N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 105060539) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide
PubChem CID105060539
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(C)(CN)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-13-7-6-10-19(11-13)15(20)18-16(2,12-17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3,(H,18,20)
InChIKeyOYEDLTAWUCKHLQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-diphenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 67926030
N-(1-amino-2-phenylpropan-2-yl)-3-cyclopentylpropanamide
CID 105060455
3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 2892125
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 115754110
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
methyl (2S)-2-[(3R)-3-methylpiperidin-1-yl]-2-phenylpropanoate
CID 97034679
N',3-dimethyl-N-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide
CID 111144474
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide (CID 105060539) is N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC(C)(CN)c2ccccc2)C1.
What is the InChIKey of N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is OYEDLTAWUCKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-7-6-10-19(11-13)15(20)18-16(2,12-17)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12,17H2,1-2H3,(H,18,20).
What are the key properties of N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide?
N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-phenylpropan-2-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 105060539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).