N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide

C20H28N4O — CID 97226849

IUPACN-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
SMILESC[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CCn1cccn1
InChIInChI=1S/C20H28N4O/c1-16-13-23(15-18-7-4-3-5-8-18)14-17(2)20(16)22-19(25)9-12-24-11-6-10-21-24/h3-8,10-11,16-17,20H,9,12-15H2,1-2H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyDZUBRLWFDFBSKE-IRXDYDNUSA-N
MW340.47 g/mol
LogP2.55
Rot. Bonds6

About N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide

N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 97226849) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
PubChem CID97226849
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
SMILESC[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CCn1cccn1
InChIInChI=1S/C20H28N4O/c1-16-13-23(15-18-7-4-3-5-8-18)14-17(2)20(16)22-19(25)9-12-24-11-6-10-21-24/h3-8,10-11,16-17,20H,9,12-15H2,1-2H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyDZUBRLWFDFBSKE-IRXDYDNUSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide 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-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide (CID 97226849) is N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide is C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CCn1cccn1.
What is the InChIKey of N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is DZUBRLWFDFBSKE-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-13-23(15-18-7-4-3-5-8-18)14-17(2)20(16)22-19(25)9-12-24-11-6-10-21-24/h3-8,10-11,16-17,20H,9,12-15H2,1-2H3,(H,22,25)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide?
N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 97226849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).