4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid

C17H24N4O4 — CID 122021540

IUPAC4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)NCCCC(=O)O)C2)nc1
InChIInChI=1S/C17H24N4O4/c1-12-6-7-14(19-10-12)20-16(24)13-4-3-9-21(11-13)17(25)18-8-2-5-15(22)23/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,25)(H,22,23)(H,19,20,24)
InChIKeyQPYCIGBIHBKEEZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.61
Rot. Bonds6

About 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid

4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122021540) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122021540
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)NCCCC(=O)O)C2)nc1
InChIInChI=1S/C17H24N4O4/c1-12-6-7-14(19-10-12)20-16(24)13-4-3-9-21(11-13)17(25)18-8-2-5-15(22)23/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,25)(H,22,23)(H,19,20,24)
InChIKeyQPYCIGBIHBKEEZ-UHFFFAOYSA-N
XLogP1.61
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
N-(5-bromo-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]piperidine-3-carboxamide
CID 55993827
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855211
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
(3R)-N-(5-methyl-2-pyridinyl)-1-[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide
CID 94606951
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
1-(4-methoxypiperidine-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 119855248
(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 94667048
1-(3-methoxythiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 126774157

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid (CID 122021540) is 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid is Cc1ccc(NC(=O)C2CCCN(C(=O)NCCCC(=O)O)C2)nc1.
What is the InChIKey of 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is QPYCIGBIHBKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-12-6-7-14(19-10-12)20-16(24)13-4-3-9-21(11-13)17(25)18-8-2-5-15(22)23/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,18,25)(H,22,23)(H,19,20,24).
What are the key properties of 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid?
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 348.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122021540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).