N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide

C29H36Cl2N4O3 — CID 68932264

IUPACN-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide
SMILESCC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3ccc(N(C)C)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C29H36Cl2N4O3/c1-19(36)34-14-11-21(12-15-34)29(38)35-16-13-27(24(18-35)22-7-10-25(30)26(31)17-22)33(4)28(37)20-5-8-23(9-6-20)32(2)3/h5-10,17,21,24,27H,11-16,18H2,1-4H3
InChIKeyDETZFOFAKKKCEZ-UHFFFAOYSA-N
MW559.54 g/mol
LogP4.77
Rot. Bonds5

About N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide

N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide (PubChem CID 68932264) has the molecular formula C29H36Cl2N4O3 and a molecular weight of 559.54 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide
PubChem CID68932264
Molecular FormulaC29H36Cl2N4O3
Molecular Weight559.54 g/mol
Exact Mass558.22
IUPAC NameN-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide
SMILESCC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3ccc(N(C)C)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1
InChIInChI=1S/C29H36Cl2N4O3/c1-19(36)34-14-11-21(12-15-34)29(38)35-16-13-27(24(18-35)22-7-10-25(30)26(31)17-22)33(4)28(37)20-5-8-23(9-6-20)32(2)3/h5-10,17,21,24,27H,11-16,18H2,1-4H3
InChIKeyDETZFOFAKKKCEZ-UHFFFAOYSA-N
XLogP4.77
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
CID 71699788
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-3,5-dichloro-N-methylbenzamide
CID 68930479
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-1H-pyrrole-3-carboxamide
CID 68929074
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-thiomorpholin-4-ylbenzamide
CID 68939066
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-morpholin-4-ylbenzamide;hydrate
CID 68933174
N-[(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87628712
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-6-chloro-N-methylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87627321
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N,2-dimethyl-3H-benzimidazole-5-carboxamide
CID 68931912
4-chloro-N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[1-(2-oxopropyl)piperidine-4-carbonyl]piperidin-4-yl]-N-methylbenzamide
CID 68937549
4-chloro-N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-(1-formylpiperidine-4-carbonyl)piperidin-4-yl]-N-methylbenzamide
CID 86631399
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68931077
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-3-cyano-5-fluoro-N-methylbenzamide
CID 68934093

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide (CID 68932264) is N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide is CC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3ccc(N(C)C)cc3)C(c3ccc(Cl)c(Cl)c3)C2)CC1.
What is the InChIKey of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide?
The InChIKey is DETZFOFAKKKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Cl2N4O3/c1-19(36)34-14-11-21(12-15-34)29(38)35-16-13-27(24(18-35)22-7-10-25(30)26(31)17-22)33(4)28(37)20-5-8-23(9-6-20)32(2)3/h5-10,17,21,24,27H,11-16,18H2,1-4H3.
What are the key properties of N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide?
N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide has a molecular weight of 559.54 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidine-4-carbonyl)-3-(3,4-dichlorophenyl)piperidin-4-yl]-4-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 68932264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).