N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide

C17H31N5O2 — CID 111450769

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
SMILESCC(C)CCn1cc(C(=O)NCC(O)CN2CCC(C)CC2)nn1
InChIInChI=1S/C17H31N5O2/c1-13(2)4-9-22-12-16(19-20-22)17(24)18-10-15(23)11-21-7-5-14(3)6-8-21/h12-15,23H,4-11H2,1-3H3,(H,18,24)
InChIKeyOCPKTVLEOBOPGL-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.15
Rot. Bonds8

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide (PubChem CID 111450769) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
PubChem CID111450769
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
SMILESCC(C)CCn1cc(C(=O)NCC(O)CN2CCC(C)CC2)nn1
InChIInChI=1S/C17H31N5O2/c1-13(2)4-9-22-12-16(19-20-22)17(24)18-10-15(23)11-21-7-5-14(3)6-8-21/h12-15,23H,4-11H2,1-3H3,(H,18,24)
InChIKeyOCPKTVLEOBOPGL-UHFFFAOYSA-N
XLogP1.15
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 111460513
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589213
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589215
1-[1-(3-methylbutyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354717

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide (CID 111450769) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide is CC(C)CCn1cc(C(=O)NCC(O)CN2CCC(C)CC2)nn1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide?
The InChIKey is OCPKTVLEOBOPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-13(2)4-9-22-12-16(19-20-22)17(24)18-10-15(23)11-21-7-5-14(3)6-8-21/h12-15,23H,4-11H2,1-3H3,(H,18,24).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide is sourced from PubChem (CID 111450769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).