[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

C18H26N2O2 — CID 120622590

IUPAC[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCC(c3ccccc3)C2)CCNCC1
InChIInChI=1S/C18H26N2O2/c1-22-14-18(8-10-19-11-9-18)17(21)20-12-7-16(13-20)15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3
InChIKeyVKDQYMLMVSRIEB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.02
Rot. Bonds4

About [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 120622590) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID120622590
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESCOCC1(C(=O)N2CCC(c3ccccc3)C2)CCNCC1
InChIInChI=1S/C18H26N2O2/c1-22-14-18(8-10-19-11-9-18)17(21)20-12-7-16(13-20)15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3
InChIKeyVKDQYMLMVSRIEB-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperidin-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 63129026
(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]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120636075
[2-(4-fluorophenyl)morpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120615830
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
4-(methoxymethyl)-N-(3-phenylcyclobutyl)piperidine-4-carboxamide;hydrochloride
CID 120630981
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
[(4aS,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 129358270

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 120622590) is [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is COCC1(C(=O)N2CCC(c3ccccc3)C2)CCNCC1.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is VKDQYMLMVSRIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-14-18(8-10-19-11-9-18)17(21)20-12-7-16(13-20)15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120622590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).