N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide

C32H35FN4O2 — CID 57397288

IUPACN-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3ccc(F)cc3)CC2)c1)C1CC1
InChIInChI=1S/C32H35FN4O2/c33-28-13-5-23(6-14-28)22-35-17-19-36(20-18-35)30(24-7-11-26(12-8-24)32(39)37-15-2-16-37)27-3-1-4-29(21-27)34-31(38)25-9-10-25/h1,3-8,11-14,21,25,30H,2,9-10,15-20,22H2,(H,34,38)/t30-/m1/s1
InChIKeyLYTCXQWSMLSBBT-SSEXGKCCSA-N
MW526.66 g/mol
LogP4.93
Rot. Bonds8

About N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide

N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 57397288) has the molecular formula C32H35FN4O2 and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide
PubChem CID57397288
Molecular FormulaC32H35FN4O2
Molecular Weight526.66 g/mol
Exact Mass526.27
IUPAC NameN-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3ccc(F)cc3)CC2)c1)C1CC1
InChIInChI=1S/C32H35FN4O2/c33-28-13-5-23(6-14-28)22-35-17-19-36(20-18-35)30(24-7-11-26(12-8-24)32(39)37-15-2-16-37)27-3-1-4-29(21-27)34-31(38)25-9-10-25/h1,3-8,11-14,21,25,30H,2,9-10,15-20,22H2,(H,34,38)/t30-/m1/s1
InChIKeyLYTCXQWSMLSBBT-SSEXGKCCSA-N
XLogP4.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Azd-2327
CID 11525765
N1-((2S,3S,5R)-3-amino-6-(4-fluorophenylamino)-5-methyl-6-oxo-1-phenylhexan-2-yl)-N3,N3-dipropylisophthalamide
CID 5494423
N-(2-aminophenyl)-4-(1-{2-[(2-fluorophenyl)carbamoyl]ethyl}piperidin-4-yl)benzamide
CID 25023856
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 57392006
methyl N-[4-[[4-(diethylcarbamoyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]phenyl]carbamate
CID 57397761
4-[(2-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N-ethyl-N-methylbenzamide
CID 57399426
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 57400694
4-{[4-(acetylamino)phenyl][1-(4-fluorobenzyl)piperidin 4 ylidene]methyl}-N,N-diethylbenzamide
CID 11283686
[4-(2-Fluorophenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 1321088
N-(2-aminophenyl)-4-(1-{[4-(ethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25010550
N-(2-aminophenyl)-4-(1-benzylpiperidin-4-yl)benzamide
CID 25023853
N-(2-aminophenyl)-4-(1-{[4-(dimethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023857

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide (CID 57397288) is N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc([C@@H](c2ccc(C(=O)N3CCC3)cc2)N2CCN(Cc3ccc(F)cc3)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is LYTCXQWSMLSBBT-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H35FN4O2/c33-28-13-5-23(6-14-28)22-35-17-19-36(20-18-35)30(24-7-11-26(12-8-24)32(39)37-15-2-16-37)27-3-1-4-29(21-27)34-31(38)25-9-10-25/h1,3-8,11-14,21,25,30H,2,9-10,15-20,22H2,(H,34,38)/t30-/m1/s1.
What are the key properties of N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 526.66 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-[4-(azetidine-1-carbonyl)phenyl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 57397288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).