N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide

C21H30N4O4 — CID 55633395

IUPACN-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C21H30N4O4/c1-15(2)22-19(26)13-24-8-10-25(11-9-24)20(27)14-29-18-5-3-4-17(12-18)23-21(28)16-6-7-16/h3-5,12,15-16H,6-11,13-14H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyPLYRTOPOSZTGDV-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.08
Rot. Bonds8

About N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55633395) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55633395
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)CC1
InChIInChI=1S/C21H30N4O4/c1-15(2)22-19(26)13-24-8-10-25(11-9-24)20(27)14-29-18-5-3-4-17(12-18)23-21(28)16-6-7-16/h3-5,12,15-16H,6-11,13-14H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyPLYRTOPOSZTGDV-UHFFFAOYSA-N
XLogP1.08
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
N-[3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55650668
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
N-[3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119624774
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
N-[3-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616225
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide (CID 55633395) is N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide is CC(C)NC(=O)CN1CCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)CC1.
What is the InChIKey of N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is PLYRTOPOSZTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-15(2)22-19(26)13-24-8-10-25(11-9-24)20(27)14-29-18-5-3-4-17(12-18)23-21(28)16-6-7-16/h3-5,12,15-16H,6-11,13-14H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55633395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).