N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide

C19H23Cl2N5O — CID 86903738

IUPACN,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H23Cl2N5O/c20-17-5-1-4-16(19(17)21)14-24-10-12-25(13-11-24)15-18(27)26(8-2-6-22)9-3-7-23/h1,4-5H,2-3,8-15H2
InChIKeyOLRUMMMPIIIGMX-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.77
Rot. Bonds8

About N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide

N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 86903738) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID86903738
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC NameN,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H23Cl2N5O/c20-17-5-1-4-16(19(17)21)14-24-10-12-25(13-11-24)15-18(27)26(8-2-6-22)9-3-7-23/h1,4-5H,2-3,8-15H2
InChIKeyOLRUMMMPIIIGMX-UHFFFAOYSA-N
XLogP2.77
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
MED-COV-4280ac29-15
CID 16226890
(E)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 73330394
1-Piperidineacetamide, N-(m-chlorobenzyl)-, monohydrochloride
CID 121066
Piperazine, 1-butyryl-4-(o-chlorobenzyl)-, hydrochloride
CID 205268
Piperazine, 1-acetyl-4-(o-chlorobenzyl)-, hydrochloride
CID 205877
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039077
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-2-methyl-
CID 3039078
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-3-methyl-
CID 3039079
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-4-methyl-
CID 3039080
Cambridge id 5425622
CID 205878

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide (CID 86903738) is N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide is N#CCCN(CCC#N)C(=O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OLRUMMMPIIIGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O/c20-17-5-1-4-16(19(17)21)14-24-10-12-25(13-11-24)15-18(27)26(8-2-6-22)9-3-7-23/h1,4-5H,2-3,8-15H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 408.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86903738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).