propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate

C17H25N3O3 — CID 133468919

IUPACpropan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCC(=O)NCC1CCCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-12(2)23-17(22)15-7-4-8-18-16(15)20-9-5-6-14(11-20)10-19-13(3)21/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H,19,21)
InChIKeyDMWUGPCAGRKWNZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.00
Rot. Bonds5

About propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 133468919) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID133468919
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Namepropan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate
SMILESCC(=O)NCC1CCCN(c2ncccc2C(=O)OC(C)C)C1
InChIInChI=1S/C17H25N3O3/c1-12(2)23-17(22)15-7-4-8-18-16(15)20-9-5-6-14(11-20)10-19-13(3)21/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H,19,21)
InChIKeyDMWUGPCAGRKWNZ-UHFFFAOYSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63241496
propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 75478041
propan-2-yl 2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)pyridine-3-carboxylate
CID 75522944
propan-2-yl 2-[(3S)-3-[(4-ethylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxylate
CID 67323448
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
propan-2-yl 2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 133471016
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
CID 39834364
2,2-dimethyl-N-[[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-3-yl]methyl]propanamide
CID 75522922
propan-2-yl 2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 133471654
propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
CID 133468417
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate (CID 133468919) is propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate is CC(=O)NCC1CCCN(c2ncccc2C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is DMWUGPCAGRKWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)23-17(22)15-7-4-8-18-16(15)20-9-5-6-14(11-20)10-19-13(3)21/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H,19,21).
What are the key properties of propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate?
propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(acetamidomethyl)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133468919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).