N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

C27H35N5O2S — CID 55987291

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C27H35N5O2S/c1-27(2,19-30(3)4)18-28-25(33)20-12-14-31(15-13-20)26(34)22-17-32(21-9-6-5-7-10-21)29-24(22)23-11-8-16-35-23/h5-11,16-17,20H,12-15,18-19H2,1-4H3,(H,28,33)
InChIKeyYSYDWMYQMJMNSU-UHFFFAOYSA-N
MW493.68 g/mol
LogP4.16
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 55987291) has the molecular formula C27H35N5O2S and a molecular weight of 493.68 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID55987291
Molecular FormulaC27H35N5O2S
Molecular Weight493.68 g/mol
Exact Mass493.25
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1
InChIInChI=1S/C27H35N5O2S/c1-27(2,19-30(3)4)18-28-25(33)20-12-14-31(15-13-20)26(34)22-17-32(21-9-6-5-7-10-21)29-24(22)23-11-8-16-35-23/h5-11,16-17,20H,12-15,18-19H2,1-4H3,(H,28,33)
InChIKeyYSYDWMYQMJMNSU-UHFFFAOYSA-N
XLogP4.16
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 55516612
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491792
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 26456307
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
1-(1,3-diphenylpyrazole-4-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950995

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 55987291) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is YSYDWMYQMJMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2S/c1-27(2,19-30(3)4)18-28-25(33)20-12-14-31(15-13-20)26(34)22-17-32(21-9-6-5-7-10-21)29-24(22)23-11-8-16-35-23/h5-11,16-17,20H,12-15,18-19H2,1-4H3,(H,28,33).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55987291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).