methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate

C21H31N3O4 — CID 91916458

IUPACmethyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O4/c1-27-20(25)15-22-21(26)24-13-9-19(10-14-24)28-18-7-11-23(12-8-18)16-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,26)
InChIKeyQXVICHUIIVXNDY-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.01
Rot. Bonds6

About methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate

methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate (PubChem CID 91916458) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate
PubChem CID91916458
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Namemethyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O4/c1-27-20(25)15-22-21(26)24-13-9-19(10-14-24)28-18-7-11-23(12-8-18)16-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,26)
InChIKeyQXVICHUIIVXNDY-UHFFFAOYSA-N
XLogP2.01
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxypiperidine-1-carboxamide
CID 121497141
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl 2-(1-benzylpiperidin-4-yl)oxy-2-methylpropanoate
CID 155390510
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate (CID 91916458) is methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate?
The InChIKey is QXVICHUIIVXNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-20(25)15-22-21(26)24-13-9-19(10-14-24)28-18-7-11-23(12-8-18)16-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3,(H,22,26).
What are the key properties of methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate?
methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate has a molecular weight of 389.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(1-benzylpiperidin-4-yl)oxypiperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 91916458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).