N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide

C22H33N3O3S — CID 55862816

IUPACN-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C22H33N3O3S/c1-3-4-11-23(2)20(26)17-9-13-24(14-10-17)21(27)18-7-5-12-25(16-18)22(28)19-8-6-15-29-19/h6,8,15,17-18H,3-5,7,9-14,16H2,1-2H3
InChIKeyMVPXOTQRXJNDMS-UHFFFAOYSA-N
MW419.59 g/mol
LogP3.10
Rot. Bonds6

About N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide

N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 55862816) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID55862816
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C22H33N3O3S/c1-3-4-11-23(2)20(26)17-9-13-24(14-10-17)21(27)18-7-5-12-25(16-18)22(28)19-8-6-15-29-19/h6,8,15,17-18H,3-5,7,9-14,16H2,1-2H3
InChIKeyMVPXOTQRXJNDMS-UHFFFAOYSA-N
XLogP3.10
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
N,N-diethyl-2-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55642349
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002801
[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 86905178
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide (CID 55862816) is N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is MVPXOTQRXJNDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-3-4-11-23(2)20(26)17-9-13-24(14-10-17)21(27)18-7-5-12-25(16-18)22(28)19-8-6-15-29-19/h6,8,15,17-18H,3-5,7,9-14,16H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 419.59 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55862816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).