(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide

C25H32ClN3O3 — CID 26353443

IUPAC(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
SMILESO=C(NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)[C@@H]1CCCO1
InChIInChI=1S/C25H32ClN3O3/c26-22-5-1-2-6-23(22)29-15-13-28(14-16-29)19-20-8-10-21(11-9-20)31-18-4-12-27-25(30)24-7-3-17-32-24/h1-2,5-6,8-11,24H,3-4,7,12-19H2,(H,27,30)/t24-/m0/s1
InChIKeyFWOINFCLYZSYDR-DEOSSOPVSA-N
MW458.00 g/mol
LogP3.73
Rot. Bonds9

About (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide

(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide (PubChem CID 26353443) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
PubChem CID26353443
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
SMILESO=C(NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)[C@@H]1CCCO1
InChIInChI=1S/C25H32ClN3O3/c26-22-5-1-2-6-23(22)29-15-13-28(14-16-29)19-20-8-10-21(11-9-20)31-18-4-12-27-25(30)24-7-3-17-32-24/h1-2,5-6,8-11,24H,3-4,7,12-19H2,(H,27,30)/t24-/m0/s1
InChIKeyFWOINFCLYZSYDR-DEOSSOPVSA-N
XLogP3.73
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 45248375
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
N-[3-[4-(morpholin-4-ylmethyl)phenoxy]propyl]cyclohexanecarboxamide
CID 29214226
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
[4-[2-[4-[(4-benzylpiperidin-1-yl)methyl]phenoxy]ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 45224100
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[2-(4-methylphenoxy)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021346
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide (CID 26353443) is (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide is O=C(NCCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide?
The InChIKey is FWOINFCLYZSYDR-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c26-22-5-1-2-6-23(22)29-15-13-28(14-16-29)19-20-8-10-21(11-9-20)31-18-4-12-27-25(30)24-7-3-17-32-24/h1-2,5-6,8-11,24H,3-4,7,12-19H2,(H,27,30)/t24-/m0/s1.
What are the key properties of (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide?
(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide has a molecular weight of 458.00 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 26353443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).