1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea

C19H30N4O2 — CID 110821537

IUPAC1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
SMILESCN(C)c1cccc(C(=O)N2CCC(NC(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)21-18(25)20-15-9-11-23(12-10-15)17(24)14-7-6-8-16(13-14)22(4)5/h6-8,13,15H,9-12H2,1-5H3,(H2,20,21,25)
InChIKeyLEFPCEMECSUOGK-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.45
Rot. Bonds3

About 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea

1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea (PubChem CID 110821537) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
PubChem CID110821537
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
SMILESCN(C)c1cccc(C(=O)N2CCC(NC(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)21-18(25)20-15-9-11-23(12-10-15)17(24)14-7-6-8-16(13-14)22(4)5/h6-8,13,15H,9-12H2,1-5H3,(H2,20,21,25)
InChIKeyLEFPCEMECSUOGK-UHFFFAOYSA-N
XLogP2.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
[3-(dimethylamino)phenyl]-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110744037
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea (CID 110821537) is 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea is CN(C)c1cccc(C(=O)N2CCC(NC(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea?
The InChIKey is LEFPCEMECSUOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)21-18(25)20-15-9-11-23(12-10-15)17(24)14-7-6-8-16(13-14)22(4)5/h6-8,13,15H,9-12H2,1-5H3,(H2,20,21,25).
What are the key properties of 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea?
1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea is sourced from PubChem (CID 110821537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).