N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide

C19H26Cl2N4O3 — CID 51928393

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2N4O3/c1-14(16-3-2-15(20)12-17(16)21)22-19(27)25-6-4-23(5-7-25)13-18(26)24-8-10-28-11-9-24/h2-3,12,14H,4-11,13H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeySAMDLICOHZFQIH-CQSZACIVSA-N
MW429.35 g/mol
LogP2.24
Rot. Bonds4

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide (PubChem CID 51928393) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
PubChem CID51928393
Molecular FormulaC19H26Cl2N4O3
Molecular Weight429.35 g/mol
Exact Mass428.14
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H26Cl2N4O3/c1-14(16-3-2-15(20)12-17(16)21)22-19(27)25-6-4-23(5-7-25)13-18(26)24-8-10-28-11-9-24/h2-3,12,14H,4-11,13H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeySAMDLICOHZFQIH-CQSZACIVSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
N-[1-(2-chlorophenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 86914240
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 112806265
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
2-[1-(4-chloro-2-fluorophenyl)ethylamino]-1-morpholin-4-ylethanone
CID 167966859
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 112796891
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515
2,4-dichloro-N-[4-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 43051412
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 9427010

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide (CID 51928393) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
The InChIKey is SAMDLICOHZFQIH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26Cl2N4O3/c1-14(16-3-2-15(20)12-17(16)21)22-19(27)25-6-4-23(5-7-25)13-18(26)24-8-10-28-11-9-24/h2-3,12,14H,4-11,13H2,1H3,(H,22,27)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51928393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).