(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide

C15H21N3O2S — CID 94184145

IUPAC(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1
InChIInChI=1S/C15H21N3O2S/c16-15(20)17-7-1-4-11(10-17)14(19)18-8-2-5-12(18)13-6-3-9-21-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,16,20)/t11-,12-/m0/s1
InChIKeyAQFBZPPUNHZXDO-RYUDHWBXSA-N
MW307.42 g/mol
LogP2.20
Rot. Bonds2

About (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide

(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 94184145) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID94184145
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1
InChIInChI=1S/C15H21N3O2S/c16-15(20)17-7-1-4-11(10-17)14(19)18-8-2-5-12(18)13-6-3-9-21-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,16,20)/t11-,12-/m0/s1
InChIKeyAQFBZPPUNHZXDO-RYUDHWBXSA-N
XLogP2.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
3-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 136578562
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134048550
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
[(2R,5S)-2,5-dimethylmorpholin-4-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 94051622
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
(E)-4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)but-2-enoic acid
CID 54874829

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide (CID 94184145) is (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide is NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1.
What is the InChIKey of (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is AQFBZPPUNHZXDO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-15(20)17-7-1-4-11(10-17)14(19)18-8-2-5-12(18)13-6-3-9-21-13/h3,6,9,11-12H,1-2,4-5,7-8,10H2,(H2,16,20)/t11-,12-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide?
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 94184145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).