(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide

C22H25N3O4 — CID 32678870

IUPAC(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1)[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O4/c26-19-8-2-1-7-18(19)24-10-12-25(13-11-24)22(28)16-5-3-6-17(15-16)23-21(27)20-9-4-14-29-20/h1-3,5-8,15,20,26H,4,9-14H2,(H,23,27)/t20-/m0/s1
InChIKeyOYVHFTCMGJXQSD-FQEVSTJZSA-N
MW395.46 g/mol
LogP2.47
Rot. Bonds4

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

(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (PubChem CID 32678870) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
PubChem CID32678870
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1)[C@@H]1CCCO1
InChIInChI=1S/C22H25N3O4/c26-19-8-2-1-7-18(19)24-10-12-25(13-11-24)22(28)16-5-3-6-17(15-16)23-21(27)20-9-4-14-29-20/h1-3,5-8,15,20,26H,4,9-14H2,(H,23,27)/t20-/m0/s1
InChIKeyOYVHFTCMGJXQSD-FQEVSTJZSA-N
XLogP2.47
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
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-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 45179359
(2R)-N-[3-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 95775139
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-[3-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46419124
N-[3-[(2-morpholin-4-ylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55542414
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
(2S)-N-[3-[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 52514050

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide (CID 32678870) is (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCN(c3ccccc3O)CC2)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
The InChIKey is OYVHFTCMGJXQSD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-19-8-2-1-7-18(19)24-10-12-25(13-11-24)22(28)16-5-3-6-17(15-16)23-21(27)20-9-4-14-29-20/h1-3,5-8,15,20,26H,4,9-14H2,(H,23,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 32678870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).