(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid

C16H19NO3 — CID 106892450

IUPAC(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C16H19NO3/c18-15(17-7-3-6-13(10-17)16(19)20)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-14H,3,6-10H2,(H,19,20)/t13-/m0/s1
InChIKeyLFXJZDAVUJJBFI-ZDUSSCGKSA-N
MW273.33 g/mol
LogP1.72
Rot. Bonds2

About (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 106892450) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID106892450
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1
InChIInChI=1S/C16H19NO3/c18-15(17-7-3-6-13(10-17)16(19)20)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-14H,3,6-10H2,(H,19,20)/t13-/m0/s1
InChIKeyLFXJZDAVUJJBFI-ZDUSSCGKSA-N
XLogP1.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ReN 1869
CID 9799039
Ethyl 1-(3-phenylbutanoyl)-3-piperidinecarboxylate
CID 2914344
(3R)-1-[4,4-bis(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid
CID 15355217
(3S)-1-[4,4-bis(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid;hydrochloride
CID 45264411
(3R)-1-[(E)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53318777
(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53319971
(3R)-1-[(Z)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53321703
(3R)-1-[(Z)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53325278
1-[(E)-4-(2-phenylphenyl)but-3-enyl]piperidine-3-carboxylic acid
CID 145958254
(3R)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid
CID 15355218
(3S)-1-(3-fluoren-9-ylidenepropyl)piperidine-3-carboxylic acid;hydrochloride
CID 45260122
1-[3-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidine-3-carboxylic acid
CID 9998698

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid (CID 106892450) is (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is LFXJZDAVUJJBFI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(17-7-3-6-13(10-17)16(19)20)14-8-11-4-1-2-5-12(11)9-14/h1-2,4-5,13-14H,3,6-10H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 106892450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).