2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone

C19H29N3O — CID 10381005

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N3O/c23-19(22-11-5-2-6-12-22)15-20-18-9-13-21(14-10-18)16-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKeyNTPPOKIHPFPBMX-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.25
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone

2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 10381005) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
PubChem CID10381005
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H29N3O/c23-19(22-11-5-2-6-12-22)15-20-18-9-13-21(14-10-18)16-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKeyNTPPOKIHPFPBMX-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone (CID 10381005) is 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone is O=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is NTPPOKIHPFPBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(22-11-5-2-6-12-22)15-20-18-9-13-21(14-10-18)16-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone?
2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 315.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 10381005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).