[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride

C19H27ClN2O2 — CID 119276681

IUPAC[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H26N2O2.ClH/c20-19(11-5-2-6-12-19)18(23)21-13-9-16(10-14-21)17(22)15-7-3-1-4-8-15;/h1,3-4,7-8,16H,2,5-6,9-14,20H2;1H
InChIKeyMUJRCMDCCROUIU-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.19
Rot. Bonds3

About [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride

[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride (PubChem CID 119276681) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
PubChem CID119276681
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H26N2O2.ClH/c20-19(11-5-2-6-12-19)18(23)21-13-9-16(10-14-21)17(22)15-7-3-1-4-8-15;/h1,3-4,7-8,16H,2,5-6,9-14,20H2;1H
InChIKeyMUJRCMDCCROUIU-UHFFFAOYSA-N
XLogP3.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
[1-(2-methyloxirane-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 167841638
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18145950
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071

Frequently Asked Questions

What is the IUPAC name of [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride (CID 119276681) is [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride is Cl.NC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCCCC1.
What is the InChIKey of [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride?
The InChIKey is MUJRCMDCCROUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c20-19(11-5-2-6-12-19)18(23)21-13-9-16(10-14-21)17(22)15-7-3-1-4-8-15;/h1,3-4,7-8,16H,2,5-6,9-14,20H2;1H.
What are the key properties of [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride?
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 119276681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).