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

C20H29ClN2OS — CID 42401799

IUPAC1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCSCCCN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C20H29ClN2OS/c1-25-13-3-12-23-11-2-4-16(15-23)14-22-19(24)20(9-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyQOUOAKQGLXZCLK-INIZCTEOSA-N
MW380.99 g/mol
LogP3.95
Rot. Bonds8

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

1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 42401799) has the molecular formula C20H29ClN2OS and a molecular weight of 380.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID42401799
Molecular FormulaC20H29ClN2OS
Molecular Weight380.99 g/mol
Exact Mass380.17
IUPAC Name1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCSCCCN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C20H29ClN2OS/c1-25-13-3-12-23-11-2-4-16(15-23)14-22-19(24)20(9-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyQOUOAKQGLXZCLK-INIZCTEOSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.99
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
1-(4-chlorophenyl)-N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42213685
1-(3-chlorophenyl)-N-[(1-ethylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 51099492
1-(4-chlorophenyl)-N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 72884299
1-(4-chlorophenyl)-N-[[(3R)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97280066
N-[[(3R)-1-(2-adamantyl)piperidin-3-yl]methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 26392564
(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
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide (CID 42401799) is 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide is CSCCCN1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is QOUOAKQGLXZCLK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29ClN2OS/c1-25-13-3-12-23-11-2-4-16(15-23)14-22-19(24)20(9-10-20)17-5-7-18(21)8-6-17/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 380.99 g/mol, XLogP of 3.95, 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-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 42401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).