N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide

C18H23Cl2N3O2 — CID 87016048

IUPACN-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H23Cl2N3O2/c1-21(11-13-2-3-13)17(24)12-22-4-6-23(7-5-22)18(25)14-8-15(19)10-16(20)9-14/h8-10,13H,2-7,11-12H2,1H3
InChIKeyGKTVULDRWHOVSX-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.62
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide

N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 87016048) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID87016048
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC NameN-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C18H23Cl2N3O2/c1-21(11-13-2-3-13)17(24)12-22-4-6-23(7-5-22)18(25)14-8-15(19)10-16(20)9-14/h8-10,13H,2-7,11-12H2,1H3
InChIKeyGKTVULDRWHOVSX-UHFFFAOYSA-N
XLogP2.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide (CID 87016048) is N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide is CN(CC1CC1)C(=O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is GKTVULDRWHOVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c1-21(11-13-2-3-13)17(24)12-22-4-6-23(7-5-22)18(25)14-8-15(19)10-16(20)9-14/h8-10,13H,2-7,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide?
N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 384.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 87016048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).