(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

C15H20N2O3S — CID 81117787

IUPAC(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C15H20N2O3S/c18-14(19)11-3-1-7-16(9-11)15(20)17(12-5-6-12)10-13-4-2-8-21-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,19)/t11-/m0/s1
InChIKeyTZJUYAMFUGTRDO-NSHDSACASA-N
MW308.40 g/mol
LogP2.63
Rot. Bonds4

About (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81117787) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81117787
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)N(Cc2cccs2)C2CC2)C1
InChIInChI=1S/C15H20N2O3S/c18-14(19)11-3-1-7-16(9-11)15(20)17(12-5-6-12)10-13-4-2-8-21-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,19)/t11-/m0/s1
InChIKeyTZJUYAMFUGTRDO-NSHDSACASA-N
XLogP2.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
N-cyclopropyl-3-methyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 116654649
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
CID 134001299
(2S,4S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712203
1-[cyclopropyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 43270721
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid (CID 81117787) is (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)N(Cc2cccs2)C2CC2)C1.
What is the InChIKey of (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is TZJUYAMFUGTRDO-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-14(19)11-3-1-7-16(9-11)15(20)17(12-5-6-12)10-13-4-2-8-21-13/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81117787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).