1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide

C19H28N4OS — CID 49214504

IUPAC1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCC2CCCN(Cc3cccs3)C2)cn1
InChIInChI=1S/C19H28N4OS/c1-19(2,3)23-13-16(11-21-23)18(24)20-10-15-6-4-8-22(12-15)14-17-7-5-9-25-17/h5,7,9,11,13,15H,4,6,8,10,12,14H2,1-3H3,(H,20,24)
InChIKeyLUBHWBXGOGYLOY-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.34
Rot. Bonds5

About 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide

1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 49214504) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID49214504
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NCC2CCCN(Cc3cccs3)C2)cn1
InChIInChI=1S/C19H28N4OS/c1-19(2,3)23-13-16(11-21-23)18(24)20-10-15-6-4-8-22(12-15)14-17-7-5-9-25-17/h5,7,9,11,13,15H,4,6,8,10,12,14H2,1-3H3,(H,20,24)
InChIKeyLUBHWBXGOGYLOY-UHFFFAOYSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044503
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
4-bromo-5-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56564994
1-tert-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 94823029
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 49214504) is 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NCC2CCCN(Cc3cccs3)C2)cn1.
What is the InChIKey of 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is LUBHWBXGOGYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-19(2,3)23-13-16(11-21-23)18(24)20-10-15-6-4-8-22(12-15)14-17-7-5-9-25-17/h5,7,9,11,13,15H,4,6,8,10,12,14H2,1-3H3,(H,20,24).
What are the key properties of 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 360.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 49214504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).