2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide

C26H40N4O2 — CID 11224464

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2ccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)cc2)CC1
InChIInChI=1S/C26H40N4O2/c1-25(2)14-22-15-26(3,17-25)18-30(22)24(32)19-6-8-20(9-7-19)27-23(31)16-29-12-10-21(11-13-29)28(4)5/h6-9,21-22H,10-18H2,1-5H3,(H,27,31)
InChIKeyLBCNLXFYUGQKGL-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide

2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide (PubChem CID 11224464) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
PubChem CID11224464
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2ccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)cc2)CC1
InChIInChI=1S/C26H40N4O2/c1-25(2)14-22-15-26(3,17-25)18-30(22)24(32)19-6-8-20(9-7-19)27-23(31)16-29-12-10-21(11-13-29)28(4)5/h6-9,21-22H,10-18H2,1-5H3,(H,27,31)
InChIKeyLBCNLXFYUGQKGL-UHFFFAOYSA-N
XLogP3.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
CID 11186525
2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
CID 11166156
(4-chlorophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98157724
(1S,5S)-1,3,3-trimethyl-N-[4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]amino]phenyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98089225
[4-(2-hydroxypropan-2-yl)phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 58324663
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]carbamoyl]benzoate
CID 11750886
4-decoxy-N-[4-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]benzamide
CID 98057797
N-(4-aminophenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 82224567
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
4-[[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide;hydrochloride
CID 120775335
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)benzoyl]amino]propanoate
CID 11292117
(4-imidazol-1-ylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 57456424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide (CID 11224464) is 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide is CN(C)C1CCN(CC(=O)Nc2ccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)cc2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
The InChIKey is LBCNLXFYUGQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-25(2)14-22-15-26(3,17-25)18-30(22)24(32)19-6-8-20(9-7-19)27-23(31)16-29-12-10-21(11-13-29)28(4)5/h6-9,21-22H,10-18H2,1-5H3,(H,27,31).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide has a molecular weight of 440.63 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide is sourced from PubChem (CID 11224464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).