N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide

C18H29N3O2 — CID 111784685

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCCC1C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H29N3O2/c1-14(2)21-10-6-4-8-17(21)18(23)20-12-15(13-22)11-16-7-3-5-9-19-16/h3,5,7,9,14-15,17,22H,4,6,8,10-13H2,1-2H3,(H,20,23)
InChIKeyDGNIZVYSWKWVSD-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 111784685) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID111784685
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCCC1C(=O)NCC(CO)Cc1ccccn1
InChIInChI=1S/C18H29N3O2/c1-14(2)21-10-6-4-8-17(21)18(23)20-12-15(13-22)11-16-7-3-5-9-19-16/h3,5,7,9,14-15,17,22H,4,6,8,10-13H2,1-2H3,(H,20,23)
InChIKeyDGNIZVYSWKWVSD-UHFFFAOYSA-N
XLogP1.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478271
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 75381073
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
CID 110027805
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111784596
1-[(2S)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]urea
CID 100861608
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
CID 4286493
(2R)-N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 97014692

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide (CID 111784685) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide is CC(C)N1CCCCC1C(=O)NCC(CO)Cc1ccccn1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is DGNIZVYSWKWVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)21-10-6-4-8-17(21)18(23)20-12-15(13-22)11-16-7-3-5-9-19-16/h3,5,7,9,14-15,17,22H,4,6,8,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 111784685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).