N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide

C27H25Cl2N3O2 — CID 139943198

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide
SMILESO=C(Cc1cc(-c2ccco2)nc2ccccc12)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H25Cl2N3O2/c28-22-8-7-18(14-23(22)29)17-32-11-9-20(10-12-32)30-27(33)16-19-15-25(26-6-3-13-34-26)31-24-5-2-1-4-21(19)24/h1-8,13-15,20H,9-12,16-17H2,(H,30,33)
InChIKeyCBIGJPWJNUJJJC-UHFFFAOYSA-N
MW494.42 g/mol
LogP6.12
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide (PubChem CID 139943198) has the molecular formula C27H25Cl2N3O2 and a molecular weight of 494.42 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide
PubChem CID139943198
Molecular FormulaC27H25Cl2N3O2
Molecular Weight494.42 g/mol
Exact Mass493.13
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide
SMILESO=C(Cc1cc(-c2ccco2)nc2ccccc12)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H25Cl2N3O2/c28-22-8-7-18(14-23(22)29)17-32-11-9-20(10-12-32)30-27(33)16-19-15-25(26-6-3-13-34-26)31-24-5-2-1-4-21(19)24/h1-8,13-15,20H,9-12,16-17H2,(H,30,33)
InChIKeyCBIGJPWJNUJJJC-UHFFFAOYSA-N
XLogP6.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.42
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide with MolForge

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
CID 22396246
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-phenylbut-3-enamide
CID 68884586
lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
CID 173119954
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
N-(1-benzylpiperidin-1-ium-4-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2425720
4-[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 122031321
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-pyridin-2-ylbutanediamide
CID 20794188
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide (CID 139943198) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide is O=C(Cc1cc(-c2ccco2)nc2ccccc12)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide?
The InChIKey is CBIGJPWJNUJJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O2/c28-22-8-7-18(14-23(22)29)17-32-11-9-20(10-12-32)30-27(33)16-19-15-25(26-6-3-13-34-26)31-24-5-2-1-4-21(19)24/h1-8,13-15,20H,9-12,16-17H2,(H,30,33).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide has a molecular weight of 494.42 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide is sourced from PubChem (CID 139943198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).