N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide

C25H39N3O2 — CID 143229592

IUPACN-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(C)c1
InChIInChI=1S/C25H39N3O2/c1-3-8-25(30)26-22-12-13-24(20(2)17-22)27-15-7-9-21(18-27)14-16-28(19-29)23-10-5-4-6-11-23/h12-13,17,19,21,23H,3-11,14-16,18H2,1-2H3,(H,26,30)
InChIKeySUUJDQVLHUBCGS-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.13
Rot. Bonds9

About N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide

N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide (PubChem CID 143229592) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide
PubChem CID143229592
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC NameN-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(C)c1
InChIInChI=1S/C25H39N3O2/c1-3-8-25(30)26-22-12-13-24(20(2)17-22)27-15-7-9-21(18-27)14-16-28(19-29)23-10-5-4-6-11-23/h12-13,17,19,21,23H,3-11,14-16,18H2,1-2H3,(H,26,30)
InChIKeySUUJDQVLHUBCGS-UHFFFAOYSA-N
XLogP5.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.13
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide
CID 143229805
propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate
CID 143229718
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]cyclohexanecarboxamide;methanol
CID 143229655
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid
CID 143229692
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate
CID 143229820
N-cyclohexyl-N-[2-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]ethyl]formamide;ethane
CID 143229407
N-cyclohexyl-N-[2-(1-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
N-cyclohexyl-N-ethylformamide;ethane;methyl N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]carbamate
CID 143229615
3-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672
ethyl N-[3-fluoro-4-[(3S)-3-[2-[formyl-(1-methylcyclopent-3-en-1-yl)amino]ethyl]piperidin-1-yl]phenyl]carbamate
CID 143229538

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide?
The IUPAC name of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide (CID 143229592) is N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide.
What is the SMILES notation for N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide?
The canonical SMILES for N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide is CCCC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(C)c1.
What is the InChIKey of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide?
The InChIKey is SUUJDQVLHUBCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-3-8-25(30)26-22-12-13-24(20(2)17-22)27-15-7-9-21(18-27)14-16-28(19-29)23-10-5-4-6-11-23/h12-13,17,19,21,23H,3-11,14-16,18H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide?
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide has a molecular weight of 413.61 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]butanamide is sourced from PubChem (CID 143229592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).