methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate

C18H26N2O4 — CID 10882206

IUPACmethyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-23-16-5-3-14(4-6-16)13-19-18(22)15-7-10-20(11-8-15)12-9-17(21)24-2/h3-6,15H,7-13H2,1-2H3,(H,19,22)
InChIKeyNHANFQGCVZMWTE-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.59
Rot. Bonds7

About methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate

methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate (PubChem CID 10882206) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
PubChem CID10882206
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCC(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-23-16-5-3-14(4-6-16)13-19-18(22)15-7-10-20(11-8-15)12-9-17(21)24-2/h3-6,15H,7-13H2,1-2H3,(H,19,22)
InChIKeyNHANFQGCVZMWTE-UHFFFAOYSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 7316736
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-[(1-ethylpyrazol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131907063
N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide
CID 171913395
1-(2-aminobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119945115

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate (CID 10882206) is methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate is COC(=O)CCN1CCC(C(=O)NCc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate?
The InChIKey is NHANFQGCVZMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-16-5-3-14(4-6-16)13-19-18(22)15-7-10-20(11-8-15)12-9-17(21)24-2/h3-6,15H,7-13H2,1-2H3,(H,19,22).
What are the key properties of methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate?
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate has a molecular weight of 334.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 10882206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).