2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C25H36Cl2N4O3 — CID 46024760

IUPAC2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H36Cl2N4O3/c26-21-7-6-20(18-22(21)27)25(33)31-12-10-30(11-13-31)23(19-4-1-2-5-19)24(32)28-8-3-9-29-14-16-34-17-15-29/h6-7,18-19,23H,1-5,8-17H2,(H,28,32)
InChIKeyLNEFNBJNDTYLMQ-UHFFFAOYSA-N
MW511.49 g/mol
LogP3.15
Rot. Bonds8

About 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 46024760) has the molecular formula C25H36Cl2N4O3 and a molecular weight of 511.49 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID46024760
Molecular FormulaC25H36Cl2N4O3
Molecular Weight511.49 g/mol
Exact Mass510.22
IUPAC Name2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C25H36Cl2N4O3/c26-21-7-6-20(18-22(21)27)25(33)31-12-10-30(11-13-31)23(19-4-1-2-5-19)24(32)28-8-3-9-29-14-16-34-17-15-29/h6-7,18-19,23H,1-5,8-17H2,(H,28,32)
InChIKeyLNEFNBJNDTYLMQ-UHFFFAOYSA-N
XLogP3.15
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 93210659
4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 46027346
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 93208612
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 42842571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 46024760) is 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(NCCCN1CCOCC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is LNEFNBJNDTYLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36Cl2N4O3/c26-21-7-6-20(18-22(21)27)25(33)31-12-10-30(11-13-31)23(19-4-1-2-5-19)24(32)28-8-3-9-29-14-16-34-17-15-29/h6-7,18-19,23H,1-5,8-17H2,(H,28,32).
What are the key properties of 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 511.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 46024760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).