N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide

C23H28ClN3O2 — CID 508768

IUPACN-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-17(26-23(29)20-5-3-2-4-6-20)22(28)25-15-18-11-13-27(14-12-18)16-19-7-9-21(24)10-8-19/h2-10,17-18H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyPSODOLGQULILFC-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 508768) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID508768
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-17(26-23(29)20-5-3-2-4-6-20)22(28)25-15-18-11-13-27(14-12-18)16-19-7-9-21(24)10-8-19/h2-10,17-18H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKeyPSODOLGQULILFC-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3-(dimethylamino)benzamide
CID 508774
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 508771
3-chloro-N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 508791
(2S)-2-[(4-chlorophenyl)carbamothioylamino]-N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3006343
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
(2S)-2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-hydroxypropanamide
CID 69214587
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
tert-butyl N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18426232
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
2-chloro-N-[1-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
CID 86936362
N-[1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 78801175

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide (CID 508768) is N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is PSODOLGQULILFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17(26-23(29)20-5-3-2-4-6-20)22(28)25-15-18-11-13-27(14-12-18)16-19-7-9-21(24)10-8-19/h2-10,17-18H,11-16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 413.95 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 508768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).