1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide

C22H33N3O2S — CID 45216209

IUPAC1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C22H33N3O2S/c1-16-9-13-28-20(16)15-23(2)21(26)18-4-3-10-25(14-18)19-7-11-24(12-8-19)22(27)17-5-6-17/h9,13,17-19H,3-8,10-12,14-15H2,1-2H3
InChIKeyBVAQZWMCOYRWRH-UHFFFAOYSA-N
MW403.59 g/mol
LogP3.13
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 45216209) has the molecular formula C22H33N3O2S and a molecular weight of 403.59 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide
PubChem CID45216209
Molecular FormulaC22H33N3O2S
Molecular Weight403.59 g/mol
Exact Mass403.23
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C22H33N3O2S/c1-16-9-13-28-20(16)15-23(2)21(26)18-4-3-10-25(14-18)19-7-11-24(12-8-19)22(27)17-5-6-17/h9,13,17-19H,3-8,10-12,14-15H2,1-2H3
InChIKeyBVAQZWMCOYRWRH-UHFFFAOYSA-N
XLogP3.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-3-yl)-methanone
CID 11624178
N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-(4-{[4-(Pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]methyl}-2-thienyl)ethanone
CID 16187722
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid cyclopropyl-thiophen-2-ylmethyl-amide
CID 655345
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
Cambridge id 6578772
CID 2187048
Azepan-1-yl[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanone
CID 3242035
1-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 4124445
1'-[(5-acetyl-3-thienyl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16191694
Cambridge id 6579821
CID 30137476
3-N-methyl-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 45797441
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 47803961

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide (CID 45216209) is 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide is Cc1ccsc1CN(C)C(=O)C1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is BVAQZWMCOYRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2S/c1-16-9-13-28-20(16)15-23(2)21(26)18-4-3-10-25(14-18)19-7-11-24(12-8-19)22(27)17-5-6-17/h9,13,17-19H,3-8,10-12,14-15H2,1-2H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 403.59 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45216209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).