2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

C18H28ClN3O+2 — CID 4995554

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O/c1-21-10-12-22(13-11-21)17(14-6-8-15(19)9-7-14)18(23)20-16-4-2-3-5-16/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)/p+2
InChIKeyKWRQSHHYOYPSRS-UHFFFAOYSA-P
MW337.90 g/mol
LogP-0.15
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 4995554) has the molecular formula C18H28ClN3O+2 and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID4995554
Molecular FormulaC18H28ClN3O+2
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O/c1-21-10-12-22(13-11-21)17(14-6-8-15(19)9-7-14)18(23)20-16-4-2-3-5-16/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)/p+2
InChIKeyKWRQSHHYOYPSRS-UHFFFAOYSA-P
XLogP-0.15
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 4173138
2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 4995547
N-cyclohexyl-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 4586622
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-dimethylazanium
CID 4206046
2-(4-chlorophenyl)-N-cyclohexyl-2-(diethylamino)acetamide
CID 3668552
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 4594936
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (CID 4995554) is 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is C[NH+]1CC[NH+](C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is KWRQSHHYOYPSRS-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H26ClN3O/c1-21-10-12-22(13-11-21)17(14-6-8-15(19)9-7-14)18(23)20-16-4-2-3-5-16/h6-9,16-17H,2-5,10-13H2,1H3,(H,20,23)/p+2.
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 337.90 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 4995554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).