2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide

C17H27N3O — CID 136526077

IUPAC2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
SMILESCC(C)N(C)CC(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14(2)19(3)13-17(21)18-15-8-7-11-20(12-15)16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,18,21)
InChIKeyPJKDVIBZPXVXJA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.11
Rot. Bonds5

About 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide

2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide (PubChem CID 136526077) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
PubChem CID136526077
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
SMILESCC(C)N(C)CC(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-14(2)19(3)13-17(21)18-15-8-7-11-20(12-15)16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,18,21)
InChIKeyPJKDVIBZPXVXJA-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888744
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
(1-phenylpiperidin-3-yl)urea
CID 121416777
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 119888772
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea
CID 167871591
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide (CID 136526077) is 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide is CC(C)N(C)CC(=O)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide?
The InChIKey is PJKDVIBZPXVXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)19(3)13-17(21)18-15-8-7-11-20(12-15)16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,18,21).
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide?
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide is sourced from PubChem (CID 136526077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).