[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride

C22H35Cl2FN4O — CID 119623424

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(NCC4CC4)CC3)cc2F)CC1.Cl.Cl
InChIInChI=1S/C22H33FN4O.2ClH/c1-2-25-11-13-26(14-12-25)21-6-5-18(15-20(21)23)22(28)27-9-7-19(8-10-27)24-16-17-3-4-17;;/h5-6,15,17,19,24H,2-4,7-14,16H2,1H3;2*1H
InChIKeySQPGYSDRCFWKCJ-UHFFFAOYSA-N
MW461.45 g/mol
LogP3.42
Rot. Bonds6

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride (PubChem CID 119623424) has the molecular formula C22H35Cl2FN4O and a molecular weight of 461.45 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride
PubChem CID119623424
Molecular FormulaC22H35Cl2FN4O
Molecular Weight461.45 g/mol
Exact Mass460.22
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(NCC4CC4)CC3)cc2F)CC1.Cl.Cl
InChIInChI=1S/C22H33FN4O.2ClH/c1-2-25-11-13-26(14-12-25)21-6-5-18(15-20(21)23)22(28)27-9-7-19(8-10-27)24-16-17-3-4-17;;/h5-6,15,17,19,24H,2-4,7-14,16H2,1H3;2*1H
InChIKeySQPGYSDRCFWKCJ-UHFFFAOYSA-N
XLogP3.42
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-fluorobenzamide
CID 115307520
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone
CID 119637053
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
4-(4-ethylpiperazin-1-yl)-3-fluorobenzoic acid
CID 28604489
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-iodo-4-methylphenyl)methanone;hydrochloride
CID 119625200
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-piperidin-3-ylbenzamide;dihydrochloride
CID 119426574
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512122
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119624400

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride (CID 119623424) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride is CCN1CCN(c2ccc(C(=O)N3CCC(NCC4CC4)CC3)cc2F)CC1.Cl.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride?
The InChIKey is SQPGYSDRCFWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O.2ClH/c1-2-25-11-13-26(14-12-25)21-6-5-18(15-20(21)23)22(28)27-9-7-19(8-10-27)24-16-17-3-4-17;;/h5-6,15,17,19,24H,2-4,7-14,16H2,1H3;2*1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride has a molecular weight of 461.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanone;dihydrochloride is sourced from PubChem (CID 119623424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).