N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

C19H27N5O2S — CID 75463503

IUPACN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESCC(C)Cc1cc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)n(C)n1
InChIInChI=1S/C19H27N5O2S/c1-13(2)10-16-11-17(23(3)22-16)21-19(26)24-7-4-15(5-8-24)20-18(25)14-6-9-27-12-14/h6,9,11-13,15H,4-5,7-8,10H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyDXWLPBTXEQEVNF-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.11
Rot. Bonds5

About N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (PubChem CID 75463503) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
PubChem CID75463503
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESCC(C)Cc1cc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)n(C)n1
InChIInChI=1S/C19H27N5O2S/c1-13(2)10-16-11-17(23(3)22-16)21-19(26)24-7-4-15(5-8-24)20-18(25)14-6-9-27-12-14/h6,9,11-13,15H,4-5,7-8,10H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyDXWLPBTXEQEVNF-UHFFFAOYSA-N
XLogP3.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 136579408
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[3-(2-methoxyethyl)-1-methylpyrazol-5-yl]-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 154798138
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide
CID 138998784
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 131960395
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (CID 75463503) is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is CC(C)Cc1cc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)n(C)n1.
What is the InChIKey of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The InChIKey is DXWLPBTXEQEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(2)10-16-11-17(23(3)22-16)21-19(26)24-7-4-15(5-8-24)20-18(25)14-6-9-27-12-14/h6,9,11-13,15H,4-5,7-8,10H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 75463503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).