2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

C19H29N3O — CID 119918296

IUPAC2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
SMILESCNC1CCCN(C(C(=O)N2CCCCC2)c2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-20-17-11-8-14-22(15-17)18(16-9-4-2-5-10-16)19(23)21-12-6-3-7-13-21/h2,4-5,9-10,17-18,20H,3,6-8,11-15H2,1H3
InChIKeyZNEAHOISIBSMOB-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.42
Rot. Bonds4

About 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone

2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 119918296) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
PubChem CID119918296
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
SMILESCNC1CCCN(C(C(=O)N2CCCCC2)c2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-20-17-11-8-14-22(15-17)18(16-9-4-2-5-10-16)19(23)21-12-6-3-7-13-21/h2,4-5,9-10,17-18,20H,3,6-8,11-15H2,1H3
InChIKeyZNEAHOISIBSMOB-UHFFFAOYSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
(3S,4S)-4-methyl-1-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 122120914
1-[3-(methylamino)piperidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119487480
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
CID 119491408
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 146130507
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
2-[3-(methylamino)piperidin-1-yl]-N-(1-phenylethyl)propanamide;hydrochloride
CID 119920377

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone (CID 119918296) is 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone is CNC1CCCN(C(C(=O)N2CCCCC2)c2ccccc2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is ZNEAHOISIBSMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20-17-11-8-14-22(15-17)18(16-9-4-2-5-10-16)19(23)21-12-6-3-7-13-21/h2,4-5,9-10,17-18,20H,3,6-8,11-15H2,1H3.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone?
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 315.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 119918296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).