1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C16H33Cl2N3O — CID 154886846

IUPAC1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(C)CN1CCCC(CNC(=O)C2(N)CCCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-13(2)11-19-9-5-6-14(12-19)10-18-15(20)16(17)7-3-4-8-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H
InChIKeySCXIIBWZKCECAV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.59
Rot. Bonds5

About 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 154886846) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID154886846
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC Name1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC(C)CN1CCCC(CNC(=O)C2(N)CCCC2)C1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-13(2)11-19-9-5-6-14(12-19)10-18-15(20)16(17)7-3-4-8-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H
InChIKeySCXIIBWZKCECAV-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride 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 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 154886846) is 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is CC(C)CN1CCCC(CNC(=O)C2(N)CCCC2)C1.Cl.Cl.
What is the InChIKey of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is SCXIIBWZKCECAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-13(2)11-19-9-5-6-14(12-19)10-18-15(20)16(17)7-3-4-8-16;;/h13-14H,3-12,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154886846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).