N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide

C31H31N3O2S — CID 140553059

IUPACN-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide
SMILESCc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCCC2CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C31H31N3O2S/c1-20-8-6-11-23(18-20)28-27(33-30(37-28)22-15-16-22)31(36)34-17-5-4-12-24(34)19-32-29(35)26-14-7-10-21-9-2-3-13-25(21)26/h2-3,6-11,13-14,18,22,24H,4-5,12,15-17,19H2,1H3,(H,32,35)
InChIKeyNTNQOYFLXXPTSA-UHFFFAOYSA-N
MW509.68 g/mol
LogP6.57
Rot. Bonds6

About N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide

N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 140553059) has the molecular formula C31H31N3O2S and a molecular weight of 509.68 g/mol. Its IUPAC name is N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID140553059
Molecular FormulaC31H31N3O2S
Molecular Weight509.68 g/mol
Exact Mass509.21
IUPAC NameN-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide
SMILESCc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCCC2CNC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C31H31N3O2S/c1-20-8-6-11-23(18-20)28-27(33-30(37-28)22-15-16-22)31(36)34-17-5-4-12-24(34)19-32-29(35)26-14-7-10-21-9-2-3-13-25(21)26/h2-3,6-11,13-14,18,22,24H,4-5,12,15-17,19H2,1H3,(H,32,35)
InChIKeyNTNQOYFLXXPTSA-UHFFFAOYSA-N
XLogP6.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.68
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]isoquinoline-1-carboxamide
CID 91046051
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 91342643
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 25121757
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 25121765
3-chloro-N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 25120004
N-[[(2S)-1-[2-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 25122848
(5-fluoro-1-methylindol-2-yl) N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68613855
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methyl]-1-methylindole-4-carboxamide
CID 25121059
(1-methylindol-3-yl) N-[[(2S)-1-[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68614470
N-[[(2S)-1-[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 25119658
N-[[(2S)-1-[2-cyclopropyl-5-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25121400
N-[[(2S)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25119659

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide (CID 140553059) is N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide is Cc1cccc(-c2sc(C3CC3)nc2C(=O)N2CCCCC2CNC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is NTNQOYFLXXPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O2S/c1-20-8-6-11-23(18-20)28-27(33-30(37-28)22-15-16-22)31(36)34-17-5-4-12-24(34)19-32-29(35)26-14-7-10-21-9-2-3-13-25(21)26/h2-3,6-11,13-14,18,22,24H,4-5,12,15-17,19H2,1H3,(H,32,35).
What are the key properties of N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide?
N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 509.68 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 140553059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).