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

C28H31N5OS — CID 55488781

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)cs1
InChIInChI=1S/C28H31N5OS/c1-21-29-25(20-35-21)19-32-15-13-23(14-16-32)28(34)31(2)17-24-18-33(26-11-7-4-8-12-26)30-27(24)22-9-5-3-6-10-22/h3-12,18,20,23H,13-17,19H2,1-2H3
InChIKeyKSHOLKQQPNNIHB-UHFFFAOYSA-N
MW485.66 g/mol
LogP5.17
Rot. Bonds7

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

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 55488781) has the molecular formula C28H31N5OS and a molecular weight of 485.66 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID55488781
Molecular FormulaC28H31N5OS
Molecular Weight485.66 g/mol
Exact Mass485.22
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)cs1
InChIInChI=1S/C28H31N5OS/c1-21-29-25(20-35-21)19-32-15-13-23(14-16-32)28(34)31(2)17-24-18-33(26-11-7-4-8-12-26)30-27(24)22-9-5-3-6-10-22/h3-12,18,20,23H,13-17,19H2,1-2H3
InChIKeyKSHOLKQQPNNIHB-UHFFFAOYSA-N
XLogP5.17
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.66
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 56538529
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515554
(3S)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 39996038
N-(3-amino-4-methylpentyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119658510
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 86853844
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41249351
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 56583198
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56582546

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 55488781) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC2)cs1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KSHOLKQQPNNIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5OS/c1-21-29-25(20-35-21)19-32-15-13-23(14-16-32)28(34)31(2)17-24-18-33(26-11-7-4-8-12-26)30-27(24)22-9-5-3-6-10-22/h3-12,18,20,23H,13-17,19H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 485.66 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55488781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).