2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide

C18H27N3O — CID 119920063

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O/c1-19-16-8-5-11-21(12-16)13-17(22)20-14-18(9-10-18)15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3,(H,20,22)
InChIKeyPQPKBUOPDOWURA-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.52
Rot. Bonds6

About 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 119920063) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID119920063
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27N3O/c1-19-16-8-5-11-21(12-16)13-17(22)20-14-18(9-10-18)15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3,(H,20,22)
InChIKeyPQPKBUOPDOWURA-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
2-[(1R,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 124884559
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 71932300
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxamide
CID 86831653
1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 119920063) is 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide is CNC1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is PQPKBUOPDOWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19-16-8-5-11-21(12-16)13-17(22)20-14-18(9-10-18)15-6-3-2-4-7-15/h2-4,6-7,16,19H,5,8-14H2,1H3,(H,20,22).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 301.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 119920063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).