N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide

C21H29N3OS — CID 126767047

IUPACN-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(C(C)(C)C)s1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3OS/c1-21(2,3)20-22-14-18(26-20)19(25)23(4)17-10-12-24(13-11-17)15-16-8-6-5-7-9-16/h5-9,14,17H,10-13,15H2,1-4H3
InChIKeyFXIUIPWQDDWKCP-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.18
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 126767047) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID126767047
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cnc(C(C)(C)C)s1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N3OS/c1-21(2,3)20-22-14-18(26-20)19(25)23(4)17-10-12-24(13-11-17)15-16-8-6-5-7-9-16/h5-9,14,17H,10-13,15H2,1-4H3
InChIKeyFXIUIPWQDDWKCP-UHFFFAOYSA-N
XLogP4.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
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CID 119878304
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70740053
2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646306
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
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(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
N-(1-benzylpyrrolidin-3-yl)-N,2-dimethyl-1,3-benzoxazole-4-carboxamide
CID 136538580
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide (CID 126767047) is N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide is CN(C(=O)c1cnc(C(C)(C)C)s1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FXIUIPWQDDWKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-21(2,3)20-22-14-18(26-20)19(25)23(4)17-10-12-24(13-11-17)15-16-8-6-5-7-9-16/h5-9,14,17H,10-13,15H2,1-4H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.55 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-tert-butyl-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126767047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).