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

C18H26ClN3O2 — CID 55770289

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H26ClN3O2/c19-16-5-3-15(4-6-16)7-8-20-18(23)22-11-9-21(10-12-22)14-17-2-1-13-24-17/h3-6,17H,1-2,7-14H2,(H,20,23)
InChIKeyCRZNBGGNYJTHKL-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.39
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 55770289) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID55770289
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H26ClN3O2/c19-16-5-3-15(4-6-16)7-8-20-18(23)22-11-9-21(10-12-22)14-17-2-1-13-24-17/h3-6,17H,1-2,7-14H2,(H,20,23)
InChIKeyCRZNBGGNYJTHKL-UHFFFAOYSA-N
XLogP2.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
(5-chlorofuran-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 103601974
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
(5-chlorofuran-2-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 95130228
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 38265207
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
1-(oxan-2-ylmethyl)-N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 11825671
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
2-(4-fluorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 55770289) is N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCCc1ccc(Cl)cc1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is CRZNBGGNYJTHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c19-16-5-3-15(4-6-16)7-8-20-18(23)22-11-9-21(10-12-22)14-17-2-1-13-24-17/h3-6,17H,1-2,7-14H2,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55770289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).