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

C25H29N3OS — CID 56540520

IUPACN-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCC(c3ccccc3)c3ccccc3)CC2)cs1
InChIInChI=1S/C25H29N3OS/c1-19-27-23(18-30-19)17-28-14-12-22(13-15-28)25(29)26-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22,24H,12-17H2,1H3,(H,26,29)
InChIKeyKBUGRROIYGKGPD-UHFFFAOYSA-N
MW419.59 g/mol
LogP4.61
Rot. Bonds7

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

N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 56540520) has the molecular formula C25H29N3OS and a molecular weight of 419.59 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID56540520
Molecular FormulaC25H29N3OS
Molecular Weight419.59 g/mol
Exact Mass419.20
IUPAC NameN-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCC(c3ccccc3)c3ccccc3)CC2)cs1
InChIInChI=1S/C25H29N3OS/c1-19-27-23(18-30-19)17-28-14-12-22(13-15-28)25(29)26-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22,24H,12-17H2,1H3,(H,26,29)
InChIKeyKBUGRROIYGKGPD-UHFFFAOYSA-N
XLogP4.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(9H-xanthen-9-yl)piperidine-4-carboxamide
CID 56585958
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
N-[2-(4-chloroanilino)-2-oxoethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583103
S-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56585308
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(4-phenyloxan-4-yl)piperidine-4-carboxamide
CID 139000344
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 56582571
N-(1-amino-2-methylpropan-2-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119522429
N-(2,2-diphenylethyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 51092869
3-[3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 120613883

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 56540520) is N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NCC(c3ccccc3)c3ccccc3)CC2)cs1.
What is the InChIKey of N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KBUGRROIYGKGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3OS/c1-19-27-23(18-30-19)17-28-14-12-22(13-15-28)25(29)26-16-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22,24H,12-17H2,1H3,(H,26,29).
What are the key properties of N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56540520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).