[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

C19H29N3O2S — CID 134034140

IUPAC[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-15(2)13-20-8-10-21(11-9-20)18(23)16-5-3-7-22(14-16)19(24)17-6-4-12-25-17/h4,6,12,15-16H,3,5,7-11,13-14H2,1-2H3
InChIKeyWSDCEPRFJOBIBO-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.40
Rot. Bonds4

About [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone

[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 134034140) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
PubChem CID134034140
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1
InChIInChI=1S/C19H29N3O2S/c1-15(2)13-20-8-10-21(11-9-20)18(23)16-5-3-7-22(14-16)19(24)17-6-4-12-25-17/h4,6,12,15-16H,3,5,7-11,13-14H2,1-2H3
InChIKeyWSDCEPRFJOBIBO-UHFFFAOYSA-N
XLogP2.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

N,N-diethyl-2-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55642349
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 86905499
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 46465219
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 78894079

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone (CID 134034140) is [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is CC(C)CN1CCN(C(=O)C2CCCN(C(=O)c3cccs3)C2)CC1.
What is the InChIKey of [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is WSDCEPRFJOBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-15(2)13-20-8-10-21(11-9-20)18(23)16-5-3-7-22(14-16)19(24)17-6-4-12-25-17/h4,6,12,15-16H,3,5,7-11,13-14H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone?
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 363.53 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 134034140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).