N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

C23H28ClN3O2 — CID 25494160

IUPACN-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-20(24)9-6-10-21(16)26-22(28)17(2)27-13-11-19(12-14-27)23(29)25-15-18-7-4-3-5-8-18/h3-10,17,19H,11-15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyLUGVTGHBAWYOJZ-QGZVFWFLSA-N
MW413.95 g/mol
LogP4.00
Rot. Bonds6

About N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 25494160) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID25494160
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-16-20(24)9-6-10-21(16)26-22(28)17(2)27-13-11-19(12-14-27)23(29)25-15-18-7-4-3-5-8-18/h3-10,17,19H,11-15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeyLUGVTGHBAWYOJZ-QGZVFWFLSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 25494160) is N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is LUGVTGHBAWYOJZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16-20(24)9-6-10-21(16)26-22(28)17(2)27-13-11-19(12-14-27)23(29)25-15-18-7-4-3-5-8-18/h3-10,17,19H,11-15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m1/s1.
What are the key properties of N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25494160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).