(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C17H25N3O2S — CID 95299250

IUPAC(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C17H25N3O2S/c18-17(22)15-2-1-8-20(15)14-5-9-19(10-6-14)16(21)4-3-13-7-11-23-12-13/h7,11-12,14-15H,1-6,8-10H2,(H2,18,22)/t15-/m1/s1
InChIKeyUJRNGVPZUXCNGL-OAHLLOKOSA-N
MW335.47 g/mol
LogP1.62
Rot. Bonds5

About (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 95299250) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID95299250
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccsc2)CC1
InChIInChI=1S/C17H25N3O2S/c18-17(22)15-2-1-8-20(15)14-5-9-19(10-6-14)16(21)4-3-13-7-11-23-12-13/h7,11-12,14-15H,1-6,8-10H2,(H2,18,22)/t15-/m1/s1
InChIKeyUJRNGVPZUXCNGL-OAHLLOKOSA-N
XLogP1.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94812898
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94821970
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 31134867
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
1-pyrrolidin-1-yl-7-thiophen-3-ylheptan-1-one
CID 155562244
(3S)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 9363442
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 25474842
1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 47828879
(2S)-1-[1-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 98756236

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 95299250) is (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccsc2)CC1.
What is the InChIKey of (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is UJRNGVPZUXCNGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2S/c18-17(22)15-2-1-8-20(15)14-5-9-19(10-6-14)16(21)4-3-13-7-11-23-12-13/h7,11-12,14-15H,1-6,8-10H2,(H2,18,22)/t15-/m1/s1.
What are the key properties of (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95299250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).