N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

C14H24N2O3 — CID 111539072

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)C1=CCCCO1
InChIInChI=1S/C14H24N2O3/c17-12-5-9-16(10-6-12)8-3-7-15-14(18)13-4-1-2-11-19-13/h4,12,17H,1-3,5-11H2,(H,15,18)
InChIKeyUVVGNCDDQRXMRW-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.64
Rot. Bonds5

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111539072) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111539072
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)C1=CCCCO1
InChIInChI=1S/C14H24N2O3/c17-12-5-9-16(10-6-12)8-3-7-15-14(18)13-4-1-2-11-19-13/h4,12,17H,1-3,5-11H2,(H,15,18)
InChIKeyUVVGNCDDQRXMRW-UHFFFAOYSA-N
XLogP0.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-cyclopentylmorpholin-2-yl)ethyl]-5-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 56704171
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973242
N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide
CID 95195502
N-[2-[(2S)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide
CID 95195503
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039142
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039143
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039144
3,4-dihydro-2H-pyran-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 111464418
3,4-dihydro-2H-pyran-6-yl-(3-hydroxypiperidin-1-yl)methanone
CID 111536589
N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540258
N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111664798
N-(2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112295462

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 111539072) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCCCN1CCC(O)CC1)C1=CCCCO1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is UVVGNCDDQRXMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12-5-9-16(10-6-12)8-3-7-15-14(18)13-4-1-2-11-19-13/h4,12,17H,1-3,5-11H2,(H,15,18).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111539072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).