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

C23H35N3O2 — CID 143229805

IUPACN-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-18-15-21(24-19(2)28)10-11-23(18)25-13-6-7-20(16-25)12-14-26(17-27)22-8-4-3-5-9-22/h10-11,15,17,20,22H,3-9,12-14,16H2,1-2H3,(H,24,28)
InChIKeyHYVMTCBTDDQNPM-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.35
Rot. Bonds7

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

N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide (PubChem CID 143229805) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide
PubChem CID143229805
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCCC(CCN(C=O)C3CCCCC3)C2)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-18-15-21(24-19(2)28)10-11-23(18)25-13-6-7-20(16-25)12-14-26(17-27)22-8-4-3-5-9-22/h10-11,15,17,20,22H,3-9,12-14,16H2,1-2H3,(H,24,28)
InChIKeyHYVMTCBTDDQNPM-UHFFFAOYSA-N
XLogP4.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.35
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]butanamide
CID 143229592
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]cyclohexanecarboxamide;methanol
CID 143229655
propyl N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]carbamate
CID 143229718
[4-[3-[4-[cycloheptyl(formyl)amino]butyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]carbamic acid
CID 143229692
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
N-cyclohexyl-N-[2-(1-phenylpiperidin-3-yl)ethyl]formamide
CID 143229397
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-quinolin-2-ylpiperidin-3-yl)ethyl]formamide;ethane
CID 143229721
N-cyclohexyl-N-[2-[1-(3-fluoro-4-pyridin-4-yloxyphenyl)piperidin-3-yl]ethyl]formamide;methanol
CID 143229829
N-cyclohexyl-N-ethylformamide;ethane;methyl N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]carbamate
CID 143229615

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide (CID 143229805) is N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide is CC(=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]acetamide?
The InChIKey is HYVMTCBTDDQNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18-15-21(24-19(2)28)10-11-23(18)25-13-6-7-20(16-25)12-14-26(17-27)22-8-4-3-5-9-22/h10-11,15,17,20,22H,3-9,12-14,16H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide?
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-methylphenyl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 4.35, 7 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]acetamide is sourced from PubChem (CID 143229805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).