1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C19H30N4O2S — CID 33210791

IUPAC1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C19H30N4O2S/c1-14(2)18(25)23-10-6-15(7-11-23)17(24)21-19-20-16(13-26-19)12-22-8-4-3-5-9-22/h13-15H,3-12H2,1-2H3,(H,20,21,24)
InChIKeyJWEUTTHWGHXMMX-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 33210791) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID33210791
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C19H30N4O2S/c1-14(2)18(25)23-10-6-15(7-11-23)17(24)21-19-20-16(13-26-19)12-22-8-4-3-5-9-22/h13-15H,3-12H2,1-2H3,(H,20,21,24)
InChIKeyJWEUTTHWGHXMMX-UHFFFAOYSA-N
XLogP2.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33211035
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55503858
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55903005

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 33210791) is 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is JWEUTTHWGHXMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-14(2)18(25)23-10-6-15(7-11-23)17(24)21-19-20-16(13-26-19)12-22-8-4-3-5-9-22/h13-15H,3-12H2,1-2H3,(H,20,21,24).
What are the key properties of 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 33210791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).