ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate

C24H32N2O3 — CID 97335093

IUPACethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(N[C@H](c2ccccc2)c2ccccc2OC)CC1
InChIInChI=1S/C24H32N2O3/c1-3-29-23(27)15-18-26-16-13-20(14-17-26)25-24(19-9-5-4-6-10-19)21-11-7-8-12-22(21)28-2/h4-12,20,24-25H,3,13-18H2,1-2H3/t24-/m1/s1
InChIKeyFDENVDXISMMRBZ-XMMPIXPASA-N
MW396.53 g/mol
LogP3.79
Rot. Bonds9

About ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate

ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate (PubChem CID 97335093) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
PubChem CID97335093
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nameethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCC(N[C@H](c2ccccc2)c2ccccc2OC)CC1
InChIInChI=1S/C24H32N2O3/c1-3-29-23(27)15-18-26-16-13-20(14-17-26)25-24(19-9-5-4-6-10-19)21-11-7-8-12-22(21)28-2/h4-12,20,24-25H,3,13-18H2,1-2H3/t24-/m1/s1
InChIKeyFDENVDXISMMRBZ-XMMPIXPASA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[4-[[(S)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate
CID 97335092
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
methyl 4-[[(2-aminophenyl)-phenylmethyl]amino]piperidine-1-carboxylate
CID 139982406
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
N-[(2-methoxyphenyl)-phenylmethyl]thian-4-amine
CID 75420160
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
ethyl 3-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]propanoate
CID 10069658
ethyl 3-[4-[3-[(4-fluorophenyl)-phenylmethoxy]propyl]piperazin-1-yl]propanoate;dihydrochloride
CID 70625738
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046252

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate (CID 97335093) is ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate is CCOC(=O)CCN1CCC(N[C@H](c2ccccc2)c2ccccc2OC)CC1.
What is the InChIKey of ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate?
The InChIKey is FDENVDXISMMRBZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-29-23(27)15-18-26-16-13-20(14-17-26)25-24(19-9-5-4-6-10-19)21-11-7-8-12-22(21)28-2/h4-12,20,24-25H,3,13-18H2,1-2H3/t24-/m1/s1.
What are the key properties of ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate?
ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate has a molecular weight of 396.53 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[(R)-(2-methoxyphenyl)-phenylmethyl]amino]piperidin-1-yl]propanoate is sourced from PubChem (CID 97335093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).