N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

C20H31N3O2S — CID 42693237

IUPACN-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C20H31N3O2S/c1-15(2)14-21-19(24)16-5-9-22(10-6-16)17-7-11-23(12-8-17)20(25)18-4-3-13-26-18/h3-4,13,15-17H,5-12,14H2,1-2H3,(H,21,24)
InChIKeyXNFFZRLMXMFXIC-UHFFFAOYSA-N
MW377.55 g/mol
LogP2.84
Rot. Bonds5

About N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide

N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693237) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693237
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC NameN-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C20H31N3O2S/c1-15(2)14-21-19(24)16-5-9-22(10-6-16)17-7-11-23(12-8-17)20(25)18-4-3-13-26-18/h3-4,13,15-17H,5-12,14H2,1-2H3,(H,21,24)
InChIKeyXNFFZRLMXMFXIC-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46413875
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881072
N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27845585
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42693568
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42693237) is N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is XNFFZRLMXMFXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-15(2)14-21-19(24)16-5-9-22(10-6-16)17-7-11-23(12-8-17)20(25)18-4-3-13-26-18/h3-4,13,15-17H,5-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 377.55 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).