(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid

C22H26N2O4 — CID 175879442

IUPAC(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid
SMILESCOC(=O)N1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C22H26N2O4/c1-28-22(27)24-13-12-19(14-20(24)21(25)26)23(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyCRCJTVIPUASQBR-VQTJNVASSA-N
MW382.46 g/mol
LogP3.37
Rot. Bonds6

About (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid

(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 175879442) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid
PubChem CID175879442
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid
SMILESCOC(=O)N1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C[C@@H]1C(=O)O
InChIInChI=1S/C22H26N2O4/c1-28-22(27)24-13-12-19(14-20(24)21(25)26)23(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyCRCJTVIPUASQBR-VQTJNVASSA-N
XLogP3.37
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 2-O-methyl (2R,4S)-4-(dibenzylamino)piperidine-1,2-dicarboxylate
CID 118473892
1-O-tert-butyl 2-O-methyl 4-[benzyl(methyl)amino]piperidine-1,2-dicarboxylate
CID 123876021
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
4-ethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 45043186
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[benzyl(methyl)amino]piperidine-1,2-dicarboxylate;chloromethane;methanol;methyl (2S,4S)-4-[benzyl(methyl)amino]piperidine-2-carboxylate
CID 158070109
6-(benzylamino)-2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid
CID 22344476
(2R,4S)-4-tert-butyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 15485548
1-O-tert-butyl 2-O-ethyl 4-[benzyl(methyl)amino]piperidine-1,2-dicarboxylate
CID 153383657
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098
[(4S)-4-(dibenzylamino)-2-methylcyclohexyl]carbamic acid
CID 89477255
(2R)-N-(4-aminocyclohexyl)-4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23993711

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid (CID 175879442) is (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid is COC(=O)N1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is CRCJTVIPUASQBR-VQTJNVASSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-28-22(27)24-13-12-19(14-20(24)21(25)26)23(15-17-8-4-2-5-9-17)16-18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,26)/t19-,20+/m0/s1.
What are the key properties of (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid?
(2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(dibenzylamino)-1-methoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 175879442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).