2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid

C16H24N2O3 — CID 67217694

IUPAC2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
SMILESCOC1CCCN(Cc2ccc(CCNC(=O)O)cc2)C1
InChIInChI=1S/C16H24N2O3/c1-21-15-3-2-10-18(12-15)11-14-6-4-13(5-7-14)8-9-17-16(19)20/h4-7,15,17H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyLGKMBLHEEHVARI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid

2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid (PubChem CID 67217694) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
PubChem CID67217694
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid
SMILESCOC1CCCN(Cc2ccc(CCNC(=O)O)cc2)C1
InChIInChI=1S/C16H24N2O3/c1-21-15-3-2-10-18(12-15)11-14-6-4-13(5-7-14)8-9-17-16(19)20/h4-7,15,17H,2-3,8-12H2,1H3,(H,19,20)
InChIKeyLGKMBLHEEHVARI-UHFFFAOYSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
2-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]phenyl]ethylcarbamic acid
CID 67217636
2-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzoic acid
CID 107880927
tert-butyl N-[2-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 91506773
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 131905828
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid (CID 67217694) is 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid is COC1CCCN(Cc2ccc(CCNC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid?
The InChIKey is LGKMBLHEEHVARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-15-3-2-10-18(12-15)11-14-6-4-13(5-7-14)8-9-17-16(19)20/h4-7,15,17H,2-3,8-12H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid?
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid has a molecular weight of 292.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 67217694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).