2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone

C17H26N2O — CID 119337376

IUPAC2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
SMILESCC(C)CC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)11-14-7-6-10-19(12-14)17(20)16(18)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12,18H2,1-2H3
InChIKeyCHKKCGUJBOVZAM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds4

About 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone

2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 119337376) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
PubChem CID119337376
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
SMILESCC(C)CC1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C17H26N2O/c1-13(2)11-14-7-6-10-19(12-14)17(20)16(18)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12,18H2,1-2H3
InChIKeyCHKKCGUJBOVZAM-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
2-amino-2-phenyl-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119892520
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119858252
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone (CID 119337376) is 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone is CC(C)CC1CCCN(C(=O)C(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is CHKKCGUJBOVZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)11-14-7-6-10-19(12-14)17(20)16(18)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12,18H2,1-2H3.
What are the key properties of 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone?
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 274.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119337376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).