N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide

C16H21Cl2N3O2 — CID 51969635

IUPACN-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c17-14-4-3-12(10-15(14)18)19-16(22)21-7-5-20(6-8-21)11-13-2-1-9-23-13/h3-4,10,13H,1-2,5-9,11H2,(H,19,22)/t13-/m0/s1
InChIKeyRFKWQGOIDFDONS-ZDUSSCGKSA-N
MW358.27 g/mol
LogP3.32
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 51969635) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
PubChem CID51969635
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c17-14-4-3-12(10-15(14)18)19-16(22)21-7-5-20(6-8-21)11-13-2-1-9-23-13/h3-4,10,13H,1-2,5-9,11H2,(H,19,22)/t13-/m0/s1
InChIKeyRFKWQGOIDFDONS-ZDUSSCGKSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]methyl]morpholine-4-carboxylic acid
CID 67220680
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
4-[[(2S)-4-[4-[(1E)-buta-1,3-dienyl]cyclohexyl]morpholin-2-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 143249802
(E)-3-(3,4-dichlorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 55337875
N-(4-chloro-3-methylphenyl)-4-[[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]benzamide
CID 30634978
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
N-(6-methylsulfonyl-3-pyridinyl)-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95342000
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
N-(3-chloro-4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124504771
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105519
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide (CID 51969635) is N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCO2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is RFKWQGOIDFDONS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c17-14-4-3-12(10-15(14)18)19-16(22)21-7-5-20(6-8-21)11-13-2-1-9-23-13/h3-4,10,13H,1-2,5-9,11H2,(H,19,22)/t13-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 358.27 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 51969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).