1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide

C16H24N2O2 — CID 103959932

IUPAC1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide
SMILESCC[C@@H](O)c1ccccc1N1CCCCC1C(=O)NC
InChIInChI=1S/C16H24N2O2/c1-3-15(19)12-8-4-5-9-13(12)18-11-7-6-10-14(18)16(20)17-2/h4-5,8-9,14-15,19H,3,6-7,10-11H2,1-2H3,(H,17,20)/t14?,15-/m1/s1
InChIKeyNBFCYCLOSTXFJE-YSSOQSIOSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide

1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide (PubChem CID 103959932) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide
PubChem CID103959932
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide
SMILESCC[C@@H](O)c1ccccc1N1CCCCC1C(=O)NC
InChIInChI=1S/C16H24N2O2/c1-3-15(19)12-8-4-5-9-13(12)18-11-7-6-10-14(18)16(20)17-2/h4-5,8-9,14-15,19H,3,6-7,10-11H2,1-2H3,(H,17,20)/t14?,15-/m1/s1
InChIKeyNBFCYCLOSTXFJE-YSSOQSIOSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide (CID 103959932) is 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide is CC[C@@H](O)c1ccccc1N1CCCCC1C(=O)NC.
What is the InChIKey of 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is NBFCYCLOSTXFJE-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-15(19)12-8-4-5-9-13(12)18-11-7-6-10-14(18)16(20)17-2/h4-5,8-9,14-15,19H,3,6-7,10-11H2,1-2H3,(H,17,20)/t14?,15-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide?
1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-hydroxypropyl]phenyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103959932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).