(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid

C16H21NO3S — CID 97146289

IUPAC(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@](CC3CC3)(C(=O)O)C2)cs1
InChIInChI=1S/C16H21NO3S/c1-11-7-13(9-21-11)14(18)17-6-2-5-16(10-17,15(19)20)8-12-3-4-12/h7,9,12H,2-6,8,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyZMOARPXHFGQINU-MRXNPFEDSA-N
MW307.41 g/mol
LogP3.16
Rot. Bonds4

About (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid

(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 97146289) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID97146289
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@](CC3CC3)(C(=O)O)C2)cs1
InChIInChI=1S/C16H21NO3S/c1-11-7-13(9-21-11)14(18)17-6-2-5-16(10-17,15(19)20)8-12-3-4-12/h7,9,12H,2-6,8,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyZMOARPXHFGQINU-MRXNPFEDSA-N
XLogP3.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(cyclopropylmethyl)-1-(2,3-dioxo-1,4-dihydroquinoxaline-6-carbonyl)piperidine-3-carboxylic acid
CID 97130223
(3R)-3-(cyclopropylmethyl)-1-[4-(4-methylpiperazin-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 97110078
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
(3S)-3-(cyclopropylmethyl)-1-(3-methylbut-2-enoyl)piperidine-3-carboxylic acid
CID 97117704
(3R)-3-(cyclopropylmethyl)-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 97118475
(3S)-3-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97159085
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 92602397
(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
CID 130877497
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
3-ethyl-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylic acid
CID 63134440
3-(cyclobutylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 79422859
(3R)-3-(cyclopropylmethyl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 97119238

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid (CID 97146289) is (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CCC[C@](CC3CC3)(C(=O)O)C2)cs1.
What is the InChIKey of (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ZMOARPXHFGQINU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-11-7-13(9-21-11)14(18)17-6-2-5-16(10-17,15(19)20)8-12-3-4-12/h7,9,12H,2-6,8,10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 307.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopropylmethyl)-1-(5-methylthiophene-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97146289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).