1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C19H29N3O3 — CID 122123873

IUPAC1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-14-9-17(18(23)24)13-22(10-14)19(25)20-15(2)11-21(3)12-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H,20,25)(H,23,24)/t14?,15-,17?/m1/s1
InChIKeyIGDGCRLTUKQXAW-ISXOHVOVSA-N
MW347.46 g/mol
LogP2.26
Rot. Bonds6

About 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122123873) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122123873
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O3/c1-14-9-17(18(23)24)13-22(10-14)19(25)20-15(2)11-21(3)12-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H,20,25)(H,23,24)/t14?,15-,17?/m1/s1
InChIKeyIGDGCRLTUKQXAW-ISXOHVOVSA-N
XLogP2.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(1-phenylmethoxypropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122122970
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
CID 124777171
1-[3-[[benzyl(methyl)amino]methyl]benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122116998
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122726
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
5-methyl-1-[2-(N-methylanilino)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122170
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
1-[1-(2-bromophenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121905
2-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-3-[benzyl(methyl)amino]propanoic acid
CID 167896398
1-[3-[[benzyl(methyl)carbamoyl]amino]propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118385
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122754

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122123873) is 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1.
What is the InChIKey of 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is IGDGCRLTUKQXAW-ISXOHVOVSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-9-17(18(23)24)13-22(10-14)19(25)20-15(2)11-21(3)12-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H,20,25)(H,23,24)/t14?,15-,17?/m1/s1.
What are the key properties of 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 347.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122123873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).