(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid

C15H21NO2S — CID 97150633

IUPAC(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CC2CC2)CCCN(Cc2cccs2)C1
InChIInChI=1S/C15H21NO2S/c17-14(18)15(9-12-4-5-12)6-2-7-16(11-15)10-13-3-1-8-19-13/h1,3,8,12H,2,4-7,9-11H2,(H,17,18)/t15-/m0/s1
InChIKeyRPIXXEPALPEJRD-HNNXBMFYSA-N
MW279.40 g/mol
LogP3.21
Rot. Bonds5

About (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid

(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 97150633) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID97150633
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CC2CC2)CCCN(Cc2cccs2)C1
InChIInChI=1S/C15H21NO2S/c17-14(18)15(9-12-4-5-12)6-2-7-16(11-15)10-13-3-1-8-19-13/h1,3,8,12H,2,4-7,9-11H2,(H,17,18)/t15-/m0/s1
InChIKeyRPIXXEPALPEJRD-HNNXBMFYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97119136
3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 72875321
(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97155939
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
CID 154899041
(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97133834
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 72884410
N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131651871
(3R)-3-(cyclopropylmethyl)-1-(3-methylsulfanylpropyl)piperidine-3-carboxylic acid
CID 97120831
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid (CID 97150633) is (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)[C@]1(CC2CC2)CCCN(Cc2cccs2)C1.
What is the InChIKey of (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is RPIXXEPALPEJRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-14(18)15(9-12-4-5-12)6-2-7-16(11-15)10-13-3-1-8-19-13/h1,3,8,12H,2,4-7,9-11H2,(H,17,18)/t15-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid?
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 279.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97150633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).