[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid

C25H36F3N3O3 — CID 143229692

IUPAC[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=CN(CCCCC1CCCN(c2ccc(NC(=O)O)cc2C(F)(F)F)C1)C1CCCCCC1
InChIInChI=1S/C25H36F3N3O3/c26-25(27,28)22-16-20(29-24(33)34)12-13-23(22)30-15-7-9-19(17-30)8-5-6-14-31(18-32)21-10-3-1-2-4-11-21/h12-13,16,18-19,21,29H,1-11,14-15,17H2,(H,33,34)
InChIKeyONTADNSYVVBZDD-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.36
Rot. Bonds9

About [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid

[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 143229692) has the molecular formula C25H36F3N3O3 and a molecular weight of 483.58 g/mol. Its IUPAC name is [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid
PubChem CID143229692
Molecular FormulaC25H36F3N3O3
Molecular Weight483.58 g/mol
Exact Mass483.27
IUPAC Name[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=CN(CCCCC1CCCN(c2ccc(NC(=O)O)cc2C(F)(F)F)C1)C1CCCCCC1
InChIInChI=1S/C25H36F3N3O3/c26-25(27,28)22-16-20(29-24(33)34)12-13-23(22)30-15-7-9-19(17-30)8-5-6-14-31(18-32)21-10-3-1-2-4-11-21/h12-13,16,18-19,21,29H,1-11,14-15,17H2,(H,33,34)
InChIKeyONTADNSYVVBZDD-UHFFFAOYSA-N
XLogP6.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid 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

N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide
CID 143229805
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide
CID 143229592
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]cyclohexanecarboxamide;methanol
CID 143229655
N-cyclohexyl-N-ethylformamide;ethane;methyl N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]carbamate
CID 143229615
propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate
CID 143229718
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
N-cyclohexyl-N-[2-[1-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]formamide
CID 143229533
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid (CID 143229692) is [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid is O=CN(CCCCC1CCCN(c2ccc(NC(=O)O)cc2C(F)(F)F)C1)C1CCCCCC1.
What is the InChIKey of [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is ONTADNSYVVBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N3O3/c26-25(27,28)22-16-20(29-24(33)34)12-13-23(22)30-15-7-9-19(17-30)8-5-6-14-31(18-32)21-10-3-1-2-4-11-21/h12-13,16,18-19,21,29H,1-11,14-15,17H2,(H,33,34).
What are the key properties of [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid?
[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 483.58 g/mol, XLogP of 6.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 143229692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).