(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid

C20H24N2O4 — CID 155911602

IUPAC(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CC2CC2)CN(Cc2cc(=O)c3ccccc3[nH]2)CC[C@H]1O
InChIInChI=1S/C20H24N2O4/c23-17-9-14(21-16-4-2-1-3-15(16)17)11-22-8-7-18(24)20(12-22,19(25)26)10-13-5-6-13/h1-4,9,13,18,24H,5-8,10-12H2,(H,21,23)(H,25,26)/t18-,20-/m1/s1
InChIKeyQOMMRGQACHCRKP-UYAOXDASSA-N
MW356.42 g/mol
LogP1.97
Rot. Bonds5

About (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid

(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 155911602) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid
PubChem CID155911602
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CC2CC2)CN(Cc2cc(=O)c3ccccc3[nH]2)CC[C@H]1O
InChIInChI=1S/C20H24N2O4/c23-17-9-14(21-16-4-2-1-3-15(16)17)11-22-8-7-18(24)20(12-22,19(25)26)10-13-5-6-13/h1-4,9,13,18,24H,5-8,10-12H2,(H,21,23)(H,25,26)/t18-,20-/m1/s1
InChIKeyQOMMRGQACHCRKP-UYAOXDASSA-N
XLogP1.97
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
CID 155919412
(3R,4R)-3-(cyclopropylmethyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 155919400
(3S,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 135103190
2-[[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97155043
(3R,4S)-1-[(4-acetyl-1-methylpyrrol-2-yl)methyl]-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
CID 155911297
(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 135105236
2-[[4-(6-methyl-3-pyridinyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 166334205
2-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580384
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid;formic acid
CID 163341431
2-[(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]-1H-quinolin-4-one;dihydrochloride
CID 154911255
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]propanamide
CID 26394365
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 22580394

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid (CID 155911602) is (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid is O=C(O)[C@]1(CC2CC2)CN(Cc2cc(=O)c3ccccc3[nH]2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is QOMMRGQACHCRKP-UYAOXDASSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-17-9-14(21-16-4-2-1-3-15(16)17)11-22-8-7-18(24)20(12-22,19(25)26)10-13-5-6-13/h1-4,9,13,18,24H,5-8,10-12H2,(H,21,23)(H,25,26)/t18-,20-/m1/s1.
What are the key properties of (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid?
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155911602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).