N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide

C23H36N2O2 — CID 166767484

IUPACN-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide
SMILESCCC(=O)NCC(CC)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H36N2O2/c1-6-17(16-24-21(26)7-2)22(27)25-14-12-19(13-15-25)18-8-10-20(11-9-18)23(3,4)5/h8-11,17,19H,6-7,12-16H2,1-5H3,(H,24,26)
InChIKeyYSLIJVPWDRLYIX-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.24
Rot. Bonds6

About N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide

N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide (PubChem CID 166767484) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide
PubChem CID166767484
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide
SMILESCCC(=O)NCC(CC)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H36N2O2/c1-6-17(16-24-21(26)7-2)22(27)25-14-12-19(13-15-25)18-8-10-20(11-9-18)23(3,4)5/h8-11,17,19H,6-7,12-16H2,1-5H3,(H,24,26)
InChIKeyYSLIJVPWDRLYIX-UHFFFAOYSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide 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-[2-[4-[2-chloro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]butyl]propanamide
CID 166767410
N-[2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]butyl]formamide
CID 166767465
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
N-[(2R,3R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-methylbutanamide
CID 71457362
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
(2R,3R)-1-[4-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-3-hydroxy-2-methyl-4-pyrrolidin-1-ylbutane-1,4-dione
CID 143478549
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
N-[2-[1-[4-(1-methylcyclopropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]butyl]propanamide
CID 166718073
methyl N-[2-[2-(2-tert-butyl-1,3-oxazol-5-yl)-7-azaspiro[3.5]nonane-7-carbonyl]butyl]carbamate
CID 166765350
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenylacetamide
CID 76725466

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide?
The IUPAC name of N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide (CID 166767484) is N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide.
What is the SMILES notation for N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide?
The canonical SMILES for N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide is CCC(=O)NCC(CC)C(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide?
The InChIKey is YSLIJVPWDRLYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-6-17(16-24-21(26)7-2)22(27)25-14-12-19(13-15-25)18-8-10-20(11-9-18)23(3,4)5/h8-11,17,19H,6-7,12-16H2,1-5H3,(H,24,26).
What are the key properties of N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide?
N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide has a molecular weight of 372.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]butyl]propanamide is sourced from PubChem (CID 166767484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).