N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide

C27H37N3O2 — CID 71875758

IUPACN-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide
SMILESCc1cccc(COc2c(C)cc(CNC3CCN(CC(=O)NC4CC4)CC3)cc2C)c1
InChIInChI=1S/C27H37N3O2/c1-19-5-4-6-22(13-19)18-32-27-20(2)14-23(15-21(27)3)16-28-24-9-11-30(12-10-24)17-26(31)29-25-7-8-25/h4-6,13-15,24-25,28H,7-12,16-18H2,1-3H3,(H,29,31)
InChIKeyHQVLTUOBNBFRBG-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.02
Rot. Bonds9

About N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide

N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide (PubChem CID 71875758) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide
PubChem CID71875758
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide
SMILESCc1cccc(COc2c(C)cc(CNC3CCN(CC(=O)NC4CC4)CC3)cc2C)c1
InChIInChI=1S/C27H37N3O2/c1-19-5-4-6-22(13-19)18-32-27-20(2)14-23(15-21(27)3)16-28-24-9-11-30(12-10-24)17-26(31)29-25-7-8-25/h4-6,13-15,24-25,28H,7-12,16-18H2,1-3H3,(H,29,31)
InChIKeyHQVLTUOBNBFRBG-UHFFFAOYSA-N
XLogP4.02
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
1-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 122036191
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39144729
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43768782
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
CID 134047639
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide (CID 71875758) is N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide is Cc1cccc(COc2c(C)cc(CNC3CCN(CC(=O)NC4CC4)CC3)cc2C)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide?
The InChIKey is HQVLTUOBNBFRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-19-5-4-6-22(13-19)18-32-27-20(2)14-23(15-21(27)3)16-28-24-9-11-30(12-10-24)17-26(31)29-25-7-8-25/h4-6,13-15,24-25,28H,7-12,16-18H2,1-3H3,(H,29,31).
What are the key properties of N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide?
N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide has a molecular weight of 435.61 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[[3,5-dimethyl-4-[(3-methylphenyl)methoxy]phenyl]methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 71875758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).