1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide

C12H20ClN3O2 — CID 146085902

IUPAC1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N2CCN(C(=O)CCl)CC2)CCCC1
InChIInChI=1S/C12H20ClN3O2/c13-9-10(17)15-5-7-16(8-6-15)12(11(14)18)3-1-2-4-12/h1-9H2,(H2,14,18)
InChIKeyQNROADOOMFQTDO-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.17
Rot. Bonds3

About 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide

1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide (PubChem CID 146085902) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide
PubChem CID146085902
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(N2CCN(C(=O)CCl)CC2)CCCC1
InChIInChI=1S/C12H20ClN3O2/c13-9-10(17)15-5-7-16(8-6-15)12(11(14)18)3-1-2-4-12/h1-9H2,(H2,14,18)
InChIKeyQNROADOOMFQTDO-UHFFFAOYSA-N
XLogP0.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4,7-bis(2-chloroacetyl)-1,4,7-triazonan-1-yl]-2-chloroethanone
CID 67742151
1-piperidin-1-ylcyclobutane-1-carboxamide
CID 175176421
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 22314798
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
(6R)-1-azabicyclo[4.1.0]heptane-6-carboxamide
CID 142667571
[1-(2-chloroacetyl)-4-methylazepan-4-yl]methyl carbamate
CID 175316865
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
CID 130670155
2-chloro-1-(1,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 71646509
tert-butyl 4-[2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 124908861
2-chloro-1-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107453818
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide (CID 146085902) is 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide is NC(=O)C1(N2CCN(C(=O)CCl)CC2)CCCC1.
What is the InChIKey of 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide?
The InChIKey is QNROADOOMFQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c13-9-10(17)15-5-7-16(8-6-15)12(11(14)18)3-1-2-4-12/h1-9H2,(H2,14,18).
What are the key properties of 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide?
1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide has a molecular weight of 273.76 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloroacetyl)piperazin-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 146085902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).