(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid

C17H25N3O3 — CID 56868089

IUPAC(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)[C@H]2C[C@H](C(=O)O)CN(CC(C)C)C2)cn1
InChIInChI=1S/C17H25N3O3/c1-11(2)8-20-9-13(6-14(10-20)17(22)23)16(21)19-15-5-4-12(3)18-7-15/h4-5,7,11,13-14H,6,8-10H2,1-3H3,(H,19,21)(H,22,23)/t13-,14-/m0/s1
InChIKeyYMAKFOVQNBZNMX-KBPBESRZSA-N
MW319.40 g/mol
LogP2.01
Rot. Bonds5

About (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid

(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 56868089) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID56868089
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)[C@H]2C[C@H](C(=O)O)CN(CC(C)C)C2)cn1
InChIInChI=1S/C17H25N3O3/c1-11(2)8-20-9-13(6-14(10-20)17(22)23)16(21)19-15-5-4-12(3)18-7-15/h4-5,7,11,13-14H,6,8-10H2,1-3H3,(H,19,21)(H,22,23)/t13-,14-/m0/s1
InChIKeyYMAKFOVQNBZNMX-KBPBESRZSA-N
XLogP2.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-1-(1H-imidazol-5-ylmethyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 56868443
(3S,5S)-5-[(6-methyl-3-pyridinyl)carbamoyl]-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 56889596
(3R,5S)-1-(2,2-dimethylpropyl)-5-[(4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 133113152
(3R,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 56856860
(3R,5S)-1-[(1-ethylpyrazol-4-yl)methyl]-5-[(4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 133134912
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
N-(6-methyl-3-pyridinyl)-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)acetamide
CID 175759625
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
3-[(6-methyl-3-pyridinyl)amino]butanoic acid
CID 170628757
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[3-(dimethylamino)propyl]-1-(2-methylpropyl)piperidine-3,5-dicarboxamide
CID 56857839
4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 82015110

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid (CID 56868089) is (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(NC(=O)[C@H]2C[C@H](C(=O)O)CN(CC(C)C)C2)cn1.
What is the InChIKey of (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YMAKFOVQNBZNMX-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)8-20-9-13(6-14(10-20)17(22)23)16(21)19-15-5-4-12(3)18-7-15/h4-5,7,11,13-14H,6,8-10H2,1-3H3,(H,19,21)(H,22,23)/t13-,14-/m0/s1.
What are the key properties of (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56868089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).