N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C17H23N3O3 — CID 119473001

IUPACN-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC1CNCCN1C(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H23N3O3/c1-12-10-18-7-8-20(12)16(21)11-23-15-4-2-3-14(9-15)19-17(22)13-5-6-13/h2-4,9,12-13,18H,5-8,10-11H2,1H3,(H,19,22)
InChIKeyJKPDQSQXVYJKFC-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.23
Rot. Bonds5

About N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 119473001) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID119473001
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC1CNCCN1C(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H23N3O3/c1-12-10-18-7-8-20(12)16(21)11-23-15-4-2-3-14(9-15)19-17(22)13-5-6-13/h2-4,9,12-13,18H,5-8,10-11H2,1H3,(H,19,22)
InChIKeyJKPDQSQXVYJKFC-UHFFFAOYSA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119713878
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
3-(3-methylphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672416
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119624774
N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
CID 55633395

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 119473001) is N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CC1CNCCN1C(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is JKPDQSQXVYJKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-10-18-7-8-20(12)16(21)11-23-15-4-2-3-14(9-15)19-17(22)13-5-6-13/h2-4,9,12-13,18H,5-8,10-11H2,1H3,(H,19,22).
What are the key properties of N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119473001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).