2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide

C19H28ClN3O — CID 6464509

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NC1CCCCCC1
InChIInChI=1S/C19H28ClN3O/c20-16-6-5-9-18(14-16)23-12-10-22(11-13-23)15-19(24)21-17-7-3-1-2-4-8-17/h5-6,9,14,17H,1-4,7-8,10-13,15H2,(H,21,24)
InChIKeyBACPIPUCRMNDCD-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide (PubChem CID 6464509) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
PubChem CID6464509
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)NC1CCCCCC1
InChIInChI=1S/C19H28ClN3O/c20-16-6-5-9-18(14-16)23-12-10-22(11-13-23)15-19(24)21-17-7-3-1-2-4-8-17/h5-6,9,14,17H,1-4,7-8,10-13,15H2,(H,21,24)
InChIKeyBACPIPUCRMNDCD-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 142164376
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530020
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 133378895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide (CID 6464509) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC1CCCCCC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide?
The InChIKey is BACPIPUCRMNDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O/c20-16-6-5-9-18(14-16)23-12-10-22(11-13-23)15-19(24)21-17-7-3-1-2-4-8-17/h5-6,9,14,17H,1-4,7-8,10-13,15H2,(H,21,24).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide has a molecular weight of 349.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 6464509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).