[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

C20H30N2O3 — CID 120619182

IUPAC[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCC(OCc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C20H30N2O3/c1-24-16-20(9-11-21-12-10-20)19(23)22-13-7-18(8-14-22)25-15-17-5-3-2-4-6-17/h2-6,18,21H,7-16H2,1H3
InChIKeyLOQXHFFQZVSJFC-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.21
Rot. Bonds6

About [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 120619182) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID120619182
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCC(OCc3ccccc3)CC2)CCNCC1
InChIInChI=1S/C20H30N2O3/c1-24-16-20(9-11-21-12-10-20)19(23)22-13-7-18(8-14-22)25-15-17-5-3-2-4-6-17/h2-6,18,21H,7-16H2,1H3
InChIKeyLOQXHFFQZVSJFC-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
N-[4-(cyclopentyloxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634555
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647292
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
3-hydroxy-1-phenyl-3-(4-phenylmethoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 118570617
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 120619182) is [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is COCC1(C(=O)N2CCC(OCc3ccccc3)CC2)CCNCC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is LOQXHFFQZVSJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-24-16-20(9-11-21-12-10-20)19(23)22-13-7-18(8-14-22)25-15-17-5-3-2-4-6-17/h2-6,18,21H,7-16H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 346.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 120619182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).