N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

C21H30N4O4 — CID 55544186

IUPACN-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C21H30N4O4/c1-2-8-22-19(26)15-24-9-11-25(12-10-24)21(28)16-5-3-6-17(14-16)23-20(27)18-7-4-13-29-18/h3,5-6,14,18H,2,4,7-13,15H2,1H3,(H,22,26)(H,23,27)
InChIKeyQTQMDUVRIFGHKG-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.09
Rot. Bonds7

About N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 55544186) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID55544186
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C21H30N4O4/c1-2-8-22-19(26)15-24-9-11-25(12-10-24)21(28)16-5-3-6-17(14-16)23-20(27)18-7-4-13-29-18/h3,5-6,14,18H,2,4,7-13,15H2,1H3,(H,22,26)(H,23,27)
InChIKeyQTQMDUVRIFGHKG-UHFFFAOYSA-N
XLogP1.09
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 55543425
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
(2S)-N-[3-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550487
(2R)-N-[3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 36550493
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 119403639
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 55544186) is N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is CCCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1.
What is the InChIKey of N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is QTQMDUVRIFGHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-2-8-22-19(26)15-24-9-11-25(12-10-24)21(28)16-5-3-6-17(14-16)23-20(27)18-7-4-13-29-18/h3,5-6,14,18H,2,4,7-13,15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55544186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).