4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide

C24H30ClN3O2 — CID 118711000

IUPAC4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
SMILESCN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)C2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-27-13-11-22(12-14-27)28-15-10-21(16-28)26-24(29)19-4-2-18(3-5-19)17-30-23-8-6-20(25)7-9-23/h2-9,21-22H,10-17H2,1H3,(H,26,29)
InChIKeyJUQPOKSQDHYBAJ-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.82
Rot. Bonds6

About 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide

4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide (PubChem CID 118711000) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
PubChem CID118711000
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
SMILESCN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)C2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-27-13-11-22(12-14-27)28-15-10-21(16-28)26-24(29)19-4-2-18(3-5-19)17-30-23-8-6-20(25)7-9-23/h2-9,21-22H,10-17H2,1H3,(H,26,29)
InChIKeyJUQPOKSQDHYBAJ-UHFFFAOYSA-N
XLogP3.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
3-ethoxy-4-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
CID 171357990
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 28733201
N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-methylsulfanylbenzamide
CID 26409604
N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(phenoxymethyl)benzamide
CID 154820224
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
(4-chlorophenyl)-[4-[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pentoxy]phenyl]methanone
CID 24994624
1-(4-chlorophenyl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopropane-1-carboxamide
CID 28849709
N-[(3R,4R)-4-hydroxy-1-(1-methylpiperidin-4-yl)azepan-3-yl]-4-(2-methoxyethoxy)benzamide
CID 26742217
4-chloro-N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111919185
4-chloro-N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111919184

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide (CID 118711000) is 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide is CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)C2)CC1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is JUQPOKSQDHYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-27-13-11-22(12-14-27)28-15-10-21(16-28)26-24(29)19-4-2-18(3-5-19)17-30-23-8-6-20(25)7-9-23/h2-9,21-22H,10-17H2,1H3,(H,26,29).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide?
4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 427.98 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 118711000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).