N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide

C23H24Cl2N4O — CID 68935911

IUPACN-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide
SMILESCc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCNC[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C23H24Cl2N4O/c1-15-10-12-29(27-15)18-6-3-16(4-7-18)23(30)28(2)22-9-11-26-14-19(22)17-5-8-20(24)21(25)13-17/h3-8,10,12-13,19,22,26H,9,11,14H2,1-2H3/t19-,22+/m0/s1
InChIKeyHQZUKAYKYQDYIL-SIKLNZKXSA-N
MW443.38 g/mol
LogP4.71
Rot. Bonds4

About N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide

N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide (PubChem CID 68935911) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide
PubChem CID68935911
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC NameN-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide
SMILESCc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCNC[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C23H24Cl2N4O/c1-15-10-12-29(27-15)18-6-3-16(4-7-18)23(30)28(2)22-9-11-26-14-19(22)17-5-8-20(24)21(25)13-17/h3-8,10,12-13,19,22,26H,9,11,14H2,1-2H3/t19-,22+/m0/s1
InChIKeyHQZUKAYKYQDYIL-SIKLNZKXSA-N
XLogP4.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide with MolForge

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Related Compounds

4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
CID 68935262
N-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
CID 68934060
4-chloro-N-[(3S,4R)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 68933912
4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68870525
N-[(3R,4S)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631302
N-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 87629571
4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68930315
4-chloro-N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-[(2R,4R)-4-hydroxypyrrolidine-2-carbonyl]piperidin-4-yl]-N-methylbenzamide
CID 68930099
N-methyl-N-[(3R,4R)-3-(4-methylphenyl)piperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 86631370
4-chloro-N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-prop-2-enoylpiperidin-4-yl]-N-methylbenzamide
CID 68935139
N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-(piperidine-4-carbonyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631339
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide (CID 68935911) is N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide is Cc1ccn(-c2ccc(C(=O)N(C)[C@@H]3CCNC[C@H]3c3ccc(Cl)c(Cl)c3)cc2)n1.
What is the InChIKey of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide?
The InChIKey is HQZUKAYKYQDYIL-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-15-10-12-29(27-15)18-6-3-16(4-7-18)23(30)28(2)22-9-11-26-14-19(22)17-5-8-20(24)21(25)13-17/h3-8,10,12-13,19,22,26H,9,11,14H2,1-2H3/t19-,22+/m0/s1.
What are the key properties of N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide?
N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide has a molecular weight of 443.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 68935911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).