2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid

C18H28N2O3 — CID 68849802

IUPAC2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid
SMILESCOc1ccc(CCCN2CCC(CCNC(=O)O)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-23-17-6-4-15(5-7-17)3-2-12-20-13-9-16(10-14-20)8-11-19-18(21)22/h4-7,16,19H,2-3,8-14H2,1H3,(H,21,22)
InChIKeySWTGVNQWRXRNGT-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.00
Rot. Bonds8

About 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid

2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid (PubChem CID 68849802) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid
PubChem CID68849802
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid
SMILESCOc1ccc(CCCN2CCC(CCNC(=O)O)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-23-17-6-4-15(5-7-17)3-2-12-20-13-9-16(10-14-20)8-11-19-18(21)22/h4-7,16,19H,2-3,8-14H2,1H3,(H,21,22)
InChIKeySWTGVNQWRXRNGT-UHFFFAOYSA-N
XLogP3.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
N-[2-(4-chlorophenyl)ethyl]-N-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]benzamide
CID 44589629
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 17486362
2-[1-(6-methoxyisoquinolin-3-yl)piperidin-4-yl]ethylcarbamic acid
CID 67136591
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid (CID 68849802) is 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid is COc1ccc(CCCN2CCC(CCNC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid?
The InChIKey is SWTGVNQWRXRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-23-17-6-4-15(5-7-17)3-2-12-20-13-9-16(10-14-20)8-11-19-18(21)22/h4-7,16,19H,2-3,8-14H2,1H3,(H,21,22).
What are the key properties of 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid?
2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid has a molecular weight of 320.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 68849802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).