[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C16H21Cl2N3O2 — CID 119703840

IUPAC[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C16H20ClN3O2.ClH/c17-14-3-1-2-12(10-14)15(21)19-6-8-20(9-7-19)16(22)13-4-5-18-11-13;/h1-3,10,13,18H,4-9,11H2;1H
InChIKeyVHCRVOQDNXBXTN-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.66
Rot. Bonds2

About [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119703840) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119703840
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C16H20ClN3O2.ClH/c17-14-3-1-2-12(10-14)15(21)19-6-8-20(9-7-19)16(22)13-4-5-18-11-13;/h1-3,10,13,18H,4-9,11H2;1H
InChIKeyVHCRVOQDNXBXTN-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119747879
4-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673228
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 119720576
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120625408
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
[4-(3-chlorobenzoyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 119032218
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119747850

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 119703840) is [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is Cl.O=C(c1cccc(Cl)c1)N1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is VHCRVOQDNXBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/c17-14-3-1-2-12(10-14)15(21)19-6-8-20(9-7-19)16(22)13-4-5-18-11-13;/h1-3,10,13,18H,4-9,11H2;1H.
What are the key properties of [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119703840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).