1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride

C19H32ClN3O2 — CID 119794144

IUPAC1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C19H31N3O2.ClH/c20-18-15-5-4-14(11-15)17(18)19(24)21-9-6-13(7-10-21)12-22-8-2-1-3-16(22)23;/h13-15,17-18H,1-12,20H2;1H
InChIKeyHUIJDPXQICVQRA-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.03
Rot. Bonds3

About 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride

1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride (PubChem CID 119794144) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
PubChem CID119794144
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC Name1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C19H31N3O2.ClH/c20-18-15-5-4-14(11-15)17(18)19(24)21-9-6-13(7-10-21)12-22-8-2-1-3-16(22)23;/h13-15,17-18H,1-12,20H2;1H
InChIKeyHUIJDPXQICVQRA-UHFFFAOYSA-N
XLogP2.03
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894699
(4R,6S)-6-methyl-4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 97347669
1-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]methyl]piperidin-2-one
CID 120634417
1-[[1-(piperidine-3-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119329547
1-(cyclohexylmethyl)-5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45242721
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 119851960
1-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 119794155
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876003
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
The IUPAC name of 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride (CID 119794144) is 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
The InChIKey is HUIJDPXQICVQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c20-18-15-5-4-14(11-15)17(18)19(24)21-9-6-13(7-10-21)12-22-8-2-1-3-16(22)23;/h13-15,17-18H,1-12,20H2;1H.
What are the key properties of 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride?
1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 119794144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).