1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide

C25H31ClN2O2 — CID 42213685

IUPAC1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCOc1ccccc1CN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C25H31ClN2O2/c1-2-30-23-8-4-3-7-20(23)18-28-15-5-6-19(17-28)16-27-24(29)25(13-14-25)21-9-11-22(26)12-10-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyZQENQSBBOGLIHE-IBGZPJMESA-N
MW426.99 g/mol
LogP4.80
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 42213685) has the molecular formula C25H31ClN2O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID42213685
Molecular FormulaC25H31ClN2O2
Molecular Weight426.99 g/mol
Exact Mass426.21
IUPAC Name1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCOc1ccccc1CN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C25H31ClN2O2/c1-2-30-23-8-4-3-7-20(23)18-28-15-5-6-19(17-28)16-27-24(29)25(13-14-25)21-9-11-22(26)12-10-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyZQENQSBBOGLIHE-IBGZPJMESA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 25288199
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
1-(4-chlorophenyl)-N-[[(3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97286611
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 51099492
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 94488648
(3S)-3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97283033
3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 72920634
1-amino-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 95214307

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 42213685) is 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide is CCOc1ccccc1CN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is ZQENQSBBOGLIHE-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31ClN2O2/c1-2-30-23-8-4-3-7-20(23)18-28-15-5-6-19(17-28)16-27-24(29)25(13-14-25)21-9-11-22(26)12-10-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 42213685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).