[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride

C20H29ClN2O3 — CID 120619483

IUPAC[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCOCC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCNCC1.Cl
InChIInChI=1S/C20H28N2O3.ClH/c1-25-15-20(9-11-21-12-10-20)19(24)22-13-7-17(8-14-22)18(23)16-5-3-2-4-6-16;/h2-6,17,21H,7-15H2,1H3;1H
InChIKeyWSWWIGPQCKLFAA-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.55
Rot. Bonds5

About [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride

[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride (PubChem CID 120619483) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
PubChem CID120619483
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
SMILESCOCC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCNCC1.Cl
InChIInChI=1S/C20H28N2O3.ClH/c1-25-15-20(9-11-21-12-10-20)19(24)22-13-7-17(8-14-22)18(23)16-5-3-2-4-6-16;/h2-6,17,21H,7-15H2,1H3;1H
InChIKeyWSWWIGPQCKLFAA-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647292
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120642749
N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 120624231
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640847

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The IUPAC name of [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride (CID 120619483) is [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride.
What is the SMILES notation for [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The canonical SMILES for [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride is COCC1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CCNCC1.Cl.
What is the InChIKey of [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
The InChIKey is WSWWIGPQCKLFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.ClH/c1-25-15-20(9-11-21-12-10-20)19(24)22-13-7-17(8-14-22)18(23)16-5-3-2-4-6-16;/h2-6,17,21H,7-15H2,1H3;1H.
What are the key properties of [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride?
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride is sourced from PubChem (CID 120619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).