N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide

C16H24N2O2S — CID 91953826

IUPACN-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C16H24N2O2S/c1-12(2)17-16(20)13-5-3-9-18(11-13)15(19)8-7-14-6-4-10-21-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,17,20)
InChIKeyCEBJBIQKVOKELH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.44
Rot. Bonds5

About N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide

N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide (PubChem CID 91953826) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
PubChem CID91953826
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C16H24N2O2S/c1-12(2)17-16(20)13-5-3-9-18(11-13)15(19)8-7-14-6-4-10-21-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,17,20)
InChIKeyCEBJBIQKVOKELH-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
1-[3-(4-methylbenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110394634
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
N,1-dimethyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepane-6-carboxamide
CID 110107458
2-methyl-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]propanoic acid
CID 83198787
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide (CID 91953826) is N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(C(=O)CCc2cccs2)C1.
What is the InChIKey of N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
The InChIKey is CEBJBIQKVOKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)17-16(20)13-5-3-9-18(11-13)15(19)8-7-14-6-4-10-21-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 91953826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).