2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate

C16H23N3O3 — CID 108562438

IUPAC2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C16H23N3O3/c1-12(2)11-22-16(21)19-9-5-14(6-10-19)18-15(20)13-3-7-17-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyVWYAUGMFLZKUNR-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.07
Rot. Bonds4

About 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate

2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate (PubChem CID 108562438) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
PubChem CID108562438
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C16H23N3O3/c1-12(2)11-22-16(21)19-9-5-14(6-10-19)18-15(20)13-3-7-17-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyVWYAUGMFLZKUNR-UHFFFAOYSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
CID 108562819
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
2-methylpropyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 108562616
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate (CID 108562438) is 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate?
The InChIKey is VWYAUGMFLZKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)11-22-16(21)19-9-5-14(6-10-19)18-15(20)13-3-7-17-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate?
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108562438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).