(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one

C20H28N2O4 — CID 42195316

IUPAC(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccccc1CN1C[C@@H](C(=O)N2CCC(OC)CC2)CCC1=O
InChIInChI=1S/C20H28N2O4/c1-25-17-9-11-21(12-10-17)20(24)16-7-8-19(23)22(14-16)13-15-5-3-4-6-18(15)26-2/h3-6,16-17H,7-14H2,1-2H3/t16-/m0/s1
InChIKeyHDQUHFUKOLUUHO-INIZCTEOSA-N
MW360.45 g/mol
LogP2.07
Rot. Bonds5

About (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one

(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one (PubChem CID 42195316) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
PubChem CID42195316
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
SMILESCOc1ccccc1CN1C[C@@H](C(=O)N2CCC(OC)CC2)CCC1=O
InChIInChI=1S/C20H28N2O4/c1-25-17-9-11-21(12-10-17)20(24)16-7-8-19(23)22(14-16)13-15-5-3-4-6-18(15)26-2/h3-6,16-17H,7-14H2,1-2H3/t16-/m0/s1
InChIKeyHDQUHFUKOLUUHO-INIZCTEOSA-N
XLogP2.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 46109895
N-ethyl-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 72866013
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
CID 42402554
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
1-[(2-methoxyphenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46109903
1-[(2-methoxyphenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 56703472
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one (CID 42195316) is (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one is COc1ccccc1CN1C[C@@H](C(=O)N2CCC(OC)CC2)CCC1=O.
What is the InChIKey of (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is HDQUHFUKOLUUHO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-9-11-21(12-10-17)20(24)16-7-8-19(23)22(14-16)13-15-5-3-4-6-18(15)26-2/h3-6,16-17H,7-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one?
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 360.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 42195316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).