N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide

C16H24N2O2 — CID 43703441

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-11-4-5-15(20-3)14(10-11)12(2)18-16(19)13-6-8-17-9-7-13/h4-5,10,12-13,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyGRDGXZLWARXVPF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 43703441) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID43703441
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C1CCNCC1
InChIInChI=1S/C16H24N2O2/c1-11-4-5-15(20-3)14(10-11)12(2)18-16(19)13-6-8-17-9-7-13/h4-5,10,12-13,17H,6-9H2,1-3H3,(H,18,19)
InChIKeyGRDGXZLWARXVPF-UHFFFAOYSA-N
XLogP2.18
TPSA50.36 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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412352
(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
2-(azetidin-3-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 64615985

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide (CID 43703441) is N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(C)cc1C(C)NC(=O)C1CCNCC1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GRDGXZLWARXVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-5-15(20-3)14(10-11)12(2)18-16(19)13-6-8-17-9-7-13/h4-5,10,12-13,17H,6-9H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43703441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).