N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C17H31Cl2N3OS — CID 119878891

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCc1nc(C(C)(C)C)cs1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H29N3OS.2ClH/c1-12(13-5-7-18-8-6-13)9-15(21)19-10-16-20-14(11-22-16)17(2,3)4;;/h11-13,18H,5-10H2,1-4H3,(H,19,21);2*1H
InChIKeyJKUWOOWNKZMADM-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119878891) has the molecular formula C17H31Cl2N3OS and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119878891
Molecular FormulaC17H31Cl2N3OS
Molecular Weight396.43 g/mol
Exact Mass395.16
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCc1nc(C(C)(C)C)cs1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H29N3OS.2ClH/c1-12(13-5-7-18-8-6-13)9-15(21)19-10-16-20-14(11-22-16)17(2,3)4;;/h11-13,18H,5-10H2,1-4H3,(H,19,21);2*1H
InChIKeyJKUWOOWNKZMADM-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride with MolForge

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Related Compounds

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119886487
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 126780011
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727881
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
CID 116547629
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119878891) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCc1nc(C(C)(C)C)cs1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is JKUWOOWNKZMADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS.2ClH/c1-12(13-5-7-18-8-6-13)9-15(21)19-10-16-20-14(11-22-16)17(2,3)4;;/h11-13,18H,5-10H2,1-4H3,(H,19,21);2*1H.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 396.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119878891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).