N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide

C17H27N3O2 — CID 113103333

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-14(2)19-10-12-20(13-11-19)17(21)18-9-8-15-6-4-5-7-16(15)22-3/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyUMXHWJQIWGWKDD-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 113103333) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID113103333
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C17H27N3O2/c1-14(2)19-10-12-20(13-11-19)17(21)18-9-8-15-6-4-5-7-16(15)22-3/h4-7,14H,8-13H2,1-3H3,(H,18,21)
InChIKeyUMXHWJQIWGWKDD-UHFFFAOYSA-N
XLogP1.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
4-(adamantane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 47016204
4-benzylsulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539558
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485
N-[2-(2-methoxyphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 33384548
4-(5-chloro-2-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539448
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide (CID 113103333) is N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide is COc1ccccc1CCNC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is UMXHWJQIWGWKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)19-10-12-20(13-11-19)17(21)18-9-8-15-6-4-5-7-16(15)22-3/h4-7,14H,8-13H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113103333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).