N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride

C16H22ClN3O3 — CID 119403639

IUPACN-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)N2CCNCC2)c1)C1CCCO1
InChIInChI=1S/C16H21N3O3.ClH/c20-15(14-5-2-10-22-14)18-13-4-1-3-12(11-13)16(21)19-8-6-17-7-9-19;/h1,3-4,11,14,17H,2,5-10H2,(H,18,20);1H
InChIKeyWWZIWCPBLXQAGZ-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.27
Rot. Bonds3

About N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride

N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119403639) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119403639
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)N2CCNCC2)c1)C1CCCO1
InChIInChI=1S/C16H21N3O3.ClH/c20-15(14-5-2-10-22-14)18-13-4-1-3-12(11-13)16(21)19-8-6-17-7-9-19;/h1,3-4,11,14,17H,2,5-10H2,(H,18,20);1H
InChIKeyWWZIWCPBLXQAGZ-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 119403640
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712346
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46419124

Frequently Asked Questions

What is the IUPAC name of N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride (CID 119403639) is N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(=O)N2CCNCC2)c1)C1CCCO1.
What is the InChIKey of N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is WWZIWCPBLXQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c20-15(14-5-2-10-22-14)18-13-4-1-3-12(11-13)16(21)19-8-6-17-7-9-19;/h1,3-4,11,14,17H,2,5-10H2,(H,18,20);1H.
What are the key properties of N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride?
N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(piperazine-1-carbonyl)phenyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119403639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).