(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

C25H34N2O2 — CID 137436293

IUPAC(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESCCOC[C@@]12CC3CC4(C(=O)N[C@H]5CCN[C@H](C)C5)C[C@](c5ccccc5)(C1)C342
InChIInChI=1S/C25H34N2O2/c1-3-29-16-22-12-19-13-23(21(28)27-20-9-10-26-17(2)11-20)15-24(14-22,25(19,22)23)18-7-5-4-6-8-18/h4-8,17,19-20,26H,3,9-16H2,1-2H3,(H,27,28)/t17-,19?,20+,22-,23?,24+,25?/m1/s1
InChIKeyYRFVKZZSGUNGLJ-VAOFEGFCSA-N
MW394.56 g/mol
LogP3.41
Rot. Bonds6

About (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide

(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (PubChem CID 137436293) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
PubChem CID137436293
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
SMILESCCOC[C@@]12CC3CC4(C(=O)N[C@H]5CCN[C@H](C)C5)C[C@](c5ccccc5)(C1)C342
InChIInChI=1S/C25H34N2O2/c1-3-29-16-22-12-19-13-23(21(28)27-20-9-10-26-17(2)11-20)15-24(14-22,25(19,22)23)18-7-5-4-6-8-18/h4-8,17,19-20,26H,3,9-16H2,1-2H3,(H,27,28)/t17-,19?,20+,22-,23?,24+,25?/m1/s1
InChIKeyYRFVKZZSGUNGLJ-VAOFEGFCSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5R)-5-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 137436215
(3S,5R)-N-(3,3-difluoropiperidin-4-yl)-5-ethyl-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide
CID 162611286
(1R,7R)-7-(2-fluoroethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 137436221
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
(3S,5R)-3-(ethoxymethyl)-N-(4-methylcyclohexyl)-5-phenyladamantane-1-carboxamide
CID 175631093
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide
CID 169209379

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The IUPAC name of (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide (CID 137436293) is (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide.
What is the SMILES notation for (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The canonical SMILES for (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is CCOC[C@@]12CC3CC4(C(=O)N[C@H]5CCN[C@H](C)C5)C[C@](c5ccccc5)(C1)C342.
What is the InChIKey of (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
The InChIKey is YRFVKZZSGUNGLJ-VAOFEGFCSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-29-16-22-12-19-13-23(21(28)27-20-9-10-26-17(2)11-20)15-24(14-22,25(19,22)23)18-7-5-4-6-8-18/h4-8,17,19-20,26H,3,9-16H2,1-2H3,(H,27,28)/t17-,19?,20+,22-,23?,24+,25?/m1/s1.
What are the key properties of (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide?
(3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(ethoxymethyl)-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-phenyltetracyclo[3.3.1.03,9.07,9]nonane-1-carboxamide is sourced from PubChem (CID 137436293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).