N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C25H37N3OS — CID 56582350

IUPACN-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCc1ccc(C(NC(=O)C2CCN(Cc3csc(C)n3)CC2)C(C)C)cc1
InChIInChI=1S/C25H37N3OS/c1-5-6-7-20-8-10-21(11-9-20)24(18(2)3)27-25(29)22-12-14-28(15-13-22)16-23-17-30-19(4)26-23/h8-11,17-18,22,24H,5-7,12-16H2,1-4H3,(H,27,29)
InChIKeyYOVQPOSPJPJXGG-UHFFFAOYSA-N
MW427.66 g/mol
LogP5.52
Rot. Bonds9

About N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56582350) has the molecular formula C25H37N3OS and a molecular weight of 427.66 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID56582350
Molecular FormulaC25H37N3OS
Molecular Weight427.66 g/mol
Exact Mass427.27
IUPAC NameN-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCCCc1ccc(C(NC(=O)C2CCN(Cc3csc(C)n3)CC2)C(C)C)cc1
InChIInChI=1S/C25H37N3OS/c1-5-6-7-20-8-10-21(11-9-20)24(18(2)3)27-25(29)22-12-14-28(15-13-22)16-23-17-30-19(4)26-23/h8-11,17-18,22,24H,5-7,12-16H2,1-4H3,(H,27,29)
InChIKeyYOVQPOSPJPJXGG-UHFFFAOYSA-N
XLogP5.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.66
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583060
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
N-(2-amino-1-cyclohexylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119589919
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 55852662
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55487784
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
3-[3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 120613883
N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
CID 56585958

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 56582350) is N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is CCCCc1ccc(C(NC(=O)C2CCN(Cc3csc(C)n3)CC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YOVQPOSPJPJXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3OS/c1-5-6-7-20-8-10-21(11-9-20)24(18(2)3)27-25(29)22-12-14-28(15-13-22)16-23-17-30-19(4)26-23/h8-11,17-18,22,24H,5-7,12-16H2,1-4H3,(H,27,29).
What are the key properties of N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 427.66 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)-2-methylpropyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).