1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide

C18H25ClN2O — CID 51099492

IUPAC1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCCN1CCCC(CNC(=O)C2(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H25ClN2O/c1-2-21-10-4-5-14(13-21)12-20-17(22)18(8-9-18)15-6-3-7-16(19)11-15/h3,6-7,11,14H,2,4-5,8-10,12-13H2,1H3,(H,20,22)
InChIKeyDLEVFERMNAJSCI-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.22
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 51099492) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID51099492
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCCN1CCCC(CNC(=O)C2(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C18H25ClN2O/c1-2-21-10-4-5-14(13-21)12-20-17(22)18(8-9-18)15-6-3-7-16(19)11-15/h3,6-7,11,14H,2,4-5,8-10,12-13H2,1H3,(H,20,22)
InChIKeyDLEVFERMNAJSCI-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42213685
1-(3-chlorophenyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 94006812
1-(3-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 56811496
1-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119509968
1-(4-chlorophenyl)-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 25288199
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-(3-chlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538567
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111177225
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide (CID 51099492) is 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide is CCN1CCCC(CNC(=O)C2(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is DLEVFERMNAJSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-2-21-10-4-5-14(13-21)12-20-17(22)18(8-9-18)15-6-3-7-16(19)11-15/h3,6-7,11,14H,2,4-5,8-10,12-13H2,1H3,(H,20,22).
What are the key properties of 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 320.86 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51099492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).