2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C26H35N5O2S — CID 58456959

IUPAC2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)N1CCC(Oc2ncc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)CC1
InChIInChI=1S/C26H35N5O2S/c1-26(2,3)31-14-10-22(11-15-31)33-25-28-17-23(34-25)24(32)29-21-8-12-30(13-9-21)18-20-6-4-19(16-27)5-7-20/h4-7,17,21-22H,8-15,18H2,1-3H3,(H,29,32)
InChIKeyWKBCZPOLZOGGHQ-UHFFFAOYSA-N
MW481.67 g/mol
LogP4.05
Rot. Bonds6

About 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 58456959) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID58456959
Molecular FormulaC26H35N5O2S
Molecular Weight481.67 g/mol
Exact Mass481.25
IUPAC Name2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)N1CCC(Oc2ncc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)CC1
InChIInChI=1S/C26H35N5O2S/c1-26(2,3)31-14-10-22(11-15-31)33-25-28-17-23(34-25)24(32)29-21-8-12-30(13-9-21)18-20-6-4-19(16-27)5-7-20/h4-7,17,21-22H,8-15,18H2,1-3H3,(H,29,32)
InChIKeyWKBCZPOLZOGGHQ-UHFFFAOYSA-N
XLogP4.05
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(4-cyanophenyl)methyl]-2-iodopiperidin-4-yl]-2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
CID 66884898
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
5-[4-(3-chloro-4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710305
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710469
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethylsulfonyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710397
5-(4-benzylbenzoyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 122486199
N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[4-(2-phenylpropan-2-yl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 66710761
4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107205
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55706590

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 58456959) is 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is CC(C)(C)N1CCC(Oc2ncc(C(=O)NC3CCN(Cc4ccc(C#N)cc4)CC3)s2)CC1.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is WKBCZPOLZOGGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-26(2,3)31-14-10-22(11-15-31)33-25-28-17-23(34-25)24(32)29-21-8-12-30(13-9-21)18-20-6-4-19(16-27)5-7-20/h4-7,17,21-22H,8-15,18H2,1-3H3,(H,29,32).
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 481.67 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58456959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).