N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride

C14H26Cl2N4O — CID 120670877

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)NCC1NCCCC1(C)C)n1cccn1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-11(18-9-5-8-17-18)13(19)16-10-12-14(2,3)6-4-7-15-12;;/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3,(H,16,19);2*1H
InChIKeyNXRBTQNAOIOXFV-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.18
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 120670877) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID120670877
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)NCC1NCCCC1(C)C)n1cccn1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-11(18-9-5-8-17-18)13(19)16-10-12-14(2,3)6-4-7-15-12;;/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3,(H,16,19);2*1H
InChIKeyNXRBTQNAOIOXFV-UHFFFAOYSA-N
XLogP2.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;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 N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride (CID 120670877) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride is CC(C(=O)NCC1NCCCC1(C)C)n1cccn1.Cl.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is NXRBTQNAOIOXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-11(18-9-5-8-17-18)13(19)16-10-12-14(2,3)6-4-7-15-12;;/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3,(H,16,19);2*1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 120670877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).