N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

C22H32N4O5 — CID 55543425

IUPACN-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C22H32N4O5/c1-30-13-4-8-23-20(27)16-25-9-11-26(12-10-25)22(29)17-5-2-6-18(15-17)24-21(28)19-7-3-14-31-19/h2,5-6,15,19H,3-4,7-14,16H2,1H3,(H,23,27)(H,24,28)
InChIKeyYWIYURMYFTYQFD-UHFFFAOYSA-N
MW432.52 g/mol
LogP0.71
Rot. Bonds9

About N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 55543425) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID55543425
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC NameN-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1
InChIInChI=1S/C22H32N4O5/c1-30-13-4-8-23-20(27)16-25-9-11-26(12-10-25)22(29)17-5-2-6-18(15-17)24-21(28)19-7-3-14-31-19/h2,5-6,15,19H,3-4,7-14,16H2,1H3,(H,23,27)(H,24,28)
InChIKeyYWIYURMYFTYQFD-UHFFFAOYSA-N
XLogP0.71
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 55544186
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-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-(3-methoxypropyl)-2-[4-[4-(phenylcarbamoylamino)benzoyl]piperazin-1-yl]acetamide
CID 55429139
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 55543425) is N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is COCCCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)C3CCCO3)c2)CC1.
What is the InChIKey of N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is YWIYURMYFTYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-30-13-4-8-23-20(27)16-25-9-11-26(12-10-25)22(29)17-5-2-6-18(15-17)24-21(28)19-7-3-14-31-19/h2,5-6,15,19H,3-4,7-14,16H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55543425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).