2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide

C23H25Cl2N3O2 — CID 42848150

IUPAC2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCC2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H25Cl2N3O2/c24-16-7-8-18(20(25)13-16)23(30)27-17-9-11-28(12-10-17)21-4-2-1-3-19(21)22(29)26-14-15-5-6-15/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,26,29)(H,27,30)
InChIKeyBEOYIKRRVYUKGF-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.53
Rot. Bonds6

About 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide

2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide (PubChem CID 42848150) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
PubChem CID42848150
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC Name2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCC2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H25Cl2N3O2/c24-16-7-8-18(20(25)13-16)23(30)27-17-9-11-28(12-10-17)21-4-2-1-3-19(21)22(29)26-14-15-5-6-15/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,26,29)(H,27,30)
InChIKeyBEOYIKRRVYUKGF-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(cyclopropylmethyl)benzamide
CID 42848145
N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
CID 42848423
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847963
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
2,4-dichloro-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108567011

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide (CID 42848150) is 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccccc2C(=O)NCC2CC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is BEOYIKRRVYUKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c24-16-7-8-18(20(25)13-16)23(30)27-17-9-11-28(12-10-17)21-4-2-1-3-19(21)22(29)26-14-15-5-6-15/h1-4,7-8,13,15,17H,5-6,9-12,14H2,(H,26,29)(H,27,30).
What are the key properties of 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide?
2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 446.38 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[2-(cyclopropylmethylcarbamoyl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 42848150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).