N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide

C32H41N5O2 — CID 23557448

IUPACN-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide
SMILESCCn1nc(Cc2ccccc2)cc1C1CCN(CC[C@@H](c2ccccc2)N(C(C)=O)C(=O)C2CNC2)CC1
InChIInChI=1S/C32H41N5O2/c1-3-36-31(21-29(34-36)20-25-10-6-4-7-11-25)27-14-17-35(18-15-27)19-16-30(26-12-8-5-9-13-26)37(24(2)38)32(39)28-22-33-23-28/h4-13,21,27-28,30,33H,3,14-20,22-23H2,1-2H3/t30-/m0/s1
InChIKeyYJZSEMDKUBUCJW-PMERELPUSA-N
MW527.71 g/mol
LogP4.40
Rot. Bonds10

About N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide

N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide (PubChem CID 23557448) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide
PubChem CID23557448
Molecular FormulaC32H41N5O2
Molecular Weight527.71 g/mol
Exact Mass527.33
IUPAC NameN-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide
SMILESCCn1nc(Cc2ccccc2)cc1C1CCN(CC[C@@H](c2ccccc2)N(C(C)=O)C(=O)C2CNC2)CC1
InChIInChI=1S/C32H41N5O2/c1-3-36-31(21-29(34-36)20-25-10-6-4-7-11-25)27-14-17-35(18-15-27)19-16-30(26-12-8-5-9-13-26)37(24(2)38)32(39)28-22-33-23-28/h4-13,21,27-28,30,33H,3,14-20,22-23H2,1-2H3/t30-/m0/s1
InChIKeyYJZSEMDKUBUCJW-PMERELPUSA-N
XLogP4.40
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.71
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide 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-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide?
The IUPAC name of N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide (CID 23557448) is N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide.
What is the SMILES notation for N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide?
The canonical SMILES for N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide is CCn1nc(Cc2ccccc2)cc1C1CCN(CC[C@@H](c2ccccc2)N(C(C)=O)C(=O)C2CNC2)CC1.
What is the InChIKey of N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide?
The InChIKey is YJZSEMDKUBUCJW-PMERELPUSA-N. The full InChI is InChI=1S/C32H41N5O2/c1-3-36-31(21-29(34-36)20-25-10-6-4-7-11-25)27-14-17-35(18-15-27)19-16-30(26-12-8-5-9-13-26)37(24(2)38)32(39)28-22-33-23-28/h4-13,21,27-28,30,33H,3,14-20,22-23H2,1-2H3/t30-/m0/s1.
What are the key properties of N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide?
N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[(1S)-3-[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]-1-phenylpropyl]azetidine-3-carboxamide is sourced from PubChem (CID 23557448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).