N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide

C25H39N3O3 — CID 55832940

IUPACN-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
SMILESCC1CN(C(=O)C2CCN(C(C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC(C)O1
InChIInChI=1S/C25H39N3O3/c1-17-15-28(16-18(2)31-17)24(30)20-11-13-27(14-12-20)19(3)23(29)26-22-9-7-21(8-10-22)25(4,5)6/h7-10,17-20H,11-16H2,1-6H3,(H,26,29)
InChIKeyROZZCXVMNPXDRK-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.66
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide

N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide (PubChem CID 55832940) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
PubChem CID55832940
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC NameN-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
SMILESCC1CN(C(=O)C2CCN(C(C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC(C)O1
InChIInChI=1S/C25H39N3O3/c1-17-15-28(16-18(2)31-17)24(30)20-11-13-27(14-12-20)19(3)23(29)26-22-9-7-21(8-10-22)25(4,5)6/h7-10,17-20H,11-16H2,1-6H3,(H,26,29)
InChIKeyROZZCXVMNPXDRK-UHFFFAOYSA-N
XLogP3.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 55832685
N-(4-methylphenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 42927379
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
1-(4-benzylpiperidin-1-yl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55832301
N-(4-tert-butylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 55738263
ethyl 4-[1-(4-tert-butylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 55351259
[3-(4-tert-butylphenyl)cyclobutyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 14346638
methyl 5-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56524538
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908
N-[4-(difluoromethoxy)phenyl]-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]propanamide
CID 42891150
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide (CID 55832940) is N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide is CC1CN(C(=O)C2CCN(C(C)C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC(C)O1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide?
The InChIKey is ROZZCXVMNPXDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-17-15-28(16-18(2)31-17)24(30)20-11-13-27(14-12-20)19(3)23(29)26-22-9-7-21(8-10-22)25(4,5)6/h7-10,17-20H,11-16H2,1-6H3,(H,26,29).
What are the key properties of N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide?
N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide has a molecular weight of 429.61 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 55832940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).