2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride

C22H22Cl2N4O — CID 90664393

IUPAC2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
SMILESCl.Cl.N#CC(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H20N4O.2ClH/c23-15-21(20-6-3-9-24-16-20)25-10-12-26(13-11-25)22(27)19-8-7-17-4-1-2-5-18(17)14-19;;/h1-9,14,16,21H,10-13H2;2*1H
InChIKeyCZDNPWMSHFOKPC-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.10
Rot. Bonds3

About 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride

2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride (PubChem CID 90664393) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride.

Molecular Properties

Compound Name2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
PubChem CID90664393
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC Name2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
SMILESCl.Cl.N#CC(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H20N4O.2ClH/c23-15-21(20-6-3-9-24-16-20)25-10-12-26(13-11-25)22(27)19-8-7-17-4-1-2-5-18(17)14-19;;/h1-9,14,16,21H,10-13H2;2*1H
InChIKeyCZDNPWMSHFOKPC-UHFFFAOYSA-N
XLogP4.10
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349906
(2S)-2-[4-(2-chloroacetyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
CID 129362821
2-[4-[2-(benzhydrylamino)acetyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile;hydrochloride
CID 45262038
2-[4-(2-benzyl-3-phenylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride
CID 90664768
2-[4-[3-(benzhydrylamino)propanoyl]piperazin-1-yl]-2-pyridin-3-ylacetonitrile
CID 10365930
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)acetonitrile
CID 110349882
(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240
2-(2-fluorophenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349545
2-(3-bromophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110291770
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride?
The IUPAC name of 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride (CID 90664393) is 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride.
What is the SMILES notation for 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride?
The canonical SMILES for 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride is Cl.Cl.N#CC(c1cccnc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride?
The InChIKey is CZDNPWMSHFOKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O.2ClH/c23-15-21(20-6-3-9-24-16-20)25-10-12-26(13-11-25)22(27)19-8-7-17-4-1-2-5-18(17)14-19;;/h1-9,14,16,21H,10-13H2;2*1H.
What are the key properties of 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride?
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride has a molecular weight of 429.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile;dihydrochloride is sourced from PubChem (CID 90664393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).