2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate

C19H29N3O3 — CID 108562819

IUPAC2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)13-25-19(24)22-11-9-16(10-12-22)20-18(23)15-5-7-17(8-6-15)21(3)4/h5-8,14,16H,9-13H2,1-4H3,(H,20,23)
InChIKeyXEKJYHCEFJFEKR-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.74
Rot. Bonds5

About 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate

2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 108562819) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
PubChem CID108562819
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C19H29N3O3/c1-14(2)13-25-19(24)22-11-9-16(10-12-22)20-18(23)15-5-7-17(8-6-15)21(3)4/h5-8,14,16H,9-13H2,1-4H3,(H,20,23)
InChIKeyXEKJYHCEFJFEKR-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
2-methylpropyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562438
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108562813
2-methylpropyl 4-[(2-sulfanylbenzoyl)amino]piperidine-1-carboxylate
CID 108561614
N-[1-(2-cyanoacetyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557889
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate (CID 108562819) is 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(NC(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is XEKJYHCEFJFEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)13-25-19(24)22-11-9-16(10-12-22)20-18(23)15-5-7-17(8-6-15)21(3)4/h5-8,14,16H,9-13H2,1-4H3,(H,20,23).
What are the key properties of 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate?
2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[4-(dimethylamino)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108562819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).