N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide

C24H30Cl2N4O — CID 58407704

IUPACN-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1ccc(CN2CCN(CC3CC3)CC2)nc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H30Cl2N4O/c1-28(24(31)12-20-5-6-21(25)13-23(20)26)15-19-4-7-22(27-14-19)17-30-10-8-29(9-11-30)16-18-2-3-18/h4-7,13-14,18H,2-3,8-12,15-17H2,1H3
InChIKeyZWRPQMYAQYQVDK-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.12
Rot. Bonds8

About N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide

N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide (PubChem CID 58407704) has the molecular formula C24H30Cl2N4O and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
PubChem CID58407704
Molecular FormulaC24H30Cl2N4O
Molecular Weight461.44 g/mol
Exact Mass460.18
IUPAC NameN-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide
SMILESCN(Cc1ccc(CN2CCN(CC3CC3)CC2)nc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H30Cl2N4O/c1-28(24(31)12-20-5-6-21(25)13-23(20)26)15-19-4-7-22(27-14-19)17-30-10-8-29(9-11-30)16-18-2-3-18/h4-7,13-14,18H,2-3,8-12,15-17H2,1H3
InChIKeyZWRPQMYAQYQVDK-UHFFFAOYSA-N
XLogP4.12
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
The IUPAC name of N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide (CID 58407704) is N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
The canonical SMILES for N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide is CN(Cc1ccc(CN2CCN(CC3CC3)CC2)nc1)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
The InChIKey is ZWRPQMYAQYQVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O/c1-28(24(31)12-20-5-6-21(25)13-23(20)26)15-19-4-7-22(27-14-19)17-30-10-8-29(9-11-30)16-18-2-3-18/h4-7,13-14,18H,2-3,8-12,15-17H2,1H3.
What are the key properties of N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide?
N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide has a molecular weight of 461.44 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-pyridinyl]methyl]-2-(2,4-dichlorophenyl)-N-methylacetamide is sourced from PubChem (CID 58407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).