piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride

C17H25ClN2O — CID 172654432

IUPACpiperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1cccc(C2CCCNC2)c1)N1CCCCC1
InChIInChI=1S/C17H24N2O.ClH/c20-17(19-10-2-1-3-11-19)15-7-4-6-14(12-15)16-8-5-9-18-13-16;/h4,6-7,12,16,18H,1-3,5,8-11,13H2;1H
InChIKeyKZERXRWQLGEFDT-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.20
Rot. Bonds2

About piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride

piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride (PubChem CID 172654432) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
PubChem CID172654432
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Namepiperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1cccc(C2CCCNC2)c1)N1CCCCC1
InChIInChI=1S/C17H24N2O.ClH/c20-17(19-10-2-1-3-11-19)15-7-4-6-14(12-15)16-8-5-9-18-13-16;/h4,6-7,12,16,18H,1-3,5,8-11,13H2;1H
InChIKeyKZERXRWQLGEFDT-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97199073
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[3-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97192779
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
N-cyclohexyl-3-piperidin-3-ylbenzamide;hydrochloride
CID 172654417
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
N-methyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50789022
3-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride
CID 172654397
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
CID 70720892
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
CID 95861977
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride?
The IUPAC name of piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride (CID 172654432) is piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride?
The canonical SMILES for piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride is Cl.O=C(c1cccc(C2CCCNC2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride?
The InChIKey is KZERXRWQLGEFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c20-17(19-10-2-1-3-11-19)15-7-4-6-14(12-15)16-8-5-9-18-13-16;/h4,6-7,12,16,18H,1-3,5,8-11,13H2;1H.
What are the key properties of piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride?
piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 172654432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).