N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide

C15H27N3O2 — CID 176596677

IUPACN-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC1CCC(NCCCNC(=O)C2=CCCCO2)NC1
InChIInChI=1S/C15H27N3O2/c1-12-6-7-14(18-11-12)16-8-4-9-17-15(19)13-5-2-3-10-20-13/h5,12,14,16,18H,2-4,6-11H2,1H3,(H,17,19)
InChIKeyILPJCECAHDGBRX-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.12
Rot. Bonds6

About N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 176596677) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID176596677
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC1CCC(NCCCNC(=O)C2=CCCCO2)NC1
InChIInChI=1S/C15H27N3O2/c1-12-6-7-14(18-11-12)16-8-4-9-17-15(19)13-5-2-3-10-20-13/h5,12,14,16,18H,2-4,6-11H2,1H3,(H,17,19)
InChIKeyILPJCECAHDGBRX-UHFFFAOYSA-N
XLogP1.12
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 176596677) is N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide is CC1CCC(NCCCNC(=O)C2=CCCCO2)NC1.
What is the InChIKey of N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is ILPJCECAHDGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-6-7-14(18-11-12)16-8-4-9-17-15(19)13-5-2-3-10-20-13/h5,12,14,16,18H,2-4,6-11H2,1H3,(H,17,19).
What are the key properties of N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 176596677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).