4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C17H24ClN3O2 — CID 113105538

IUPAC4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c18-16-6-2-1-4-14(16)13-20-7-9-21(10-8-20)17(22)19-12-15-5-3-11-23-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)
InChIKeySSWJBXKTSKQBHE-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.35
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105538) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105538
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3O2/c18-16-6-2-1-4-14(16)13-20-7-9-21(10-8-20)17(22)19-12-15-5-3-11-23-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)
InChIKeySSWJBXKTSKQBHE-UHFFFAOYSA-N
XLogP2.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42868248
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
4-(naphthalen-1-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide
CID 9097502
5-[1-[(2-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 26318628
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 94017263
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 75527444
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105538) is 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCC1CCCO1)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SSWJBXKTSKQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-16-6-2-1-4-14(16)13-20-7-9-21(10-8-20)17(22)19-12-15-5-3-11-23-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,22).
What are the key properties of 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).