N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C19H24N4O2 — CID 112969794

IUPACN-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c1-16-6-2-3-7-17(16)25-15-10-21-19(24)23-13-11-22(12-14-23)18-8-4-5-9-20-18/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyLSILUFKBGCIHNX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.30
Rot. Bonds5

About N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 112969794) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID112969794
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1ccccc1OCCNC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c1-16-6-2-3-7-17(16)25-15-10-21-19(24)23-13-11-22(12-14-23)18-8-4-5-9-20-18/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyLSILUFKBGCIHNX-UHFFFAOYSA-N
XLogP2.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
N-[(2-methoxyphenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108892372
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 112969794) is N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is Cc1ccccc1OCCNC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is LSILUFKBGCIHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-16-6-2-3-7-17(16)25-15-10-21-19(24)23-13-11-22(12-14-23)18-8-4-5-9-20-18/h2-9H,10-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 112969794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).