1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea

C19H28FN3O2 — CID 95632696

IUPAC1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
SMILESC[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H28FN3O2/c1-13(21-18(25)22-19(2,3)4)15-6-5-11-23(12-15)17(24)14-7-9-16(20)10-8-14/h7-10,13,15H,5-6,11-12H2,1-4H3,(H2,21,22,25)/t13-,15-/m1/s1
InChIKeyUQUYXNPSGDZXKP-UKRRQHHQSA-N
MW349.45 g/mol
LogP3.16
Rot. Bonds3

About 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea

1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea (PubChem CID 95632696) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
PubChem CID95632696
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
SMILESC[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H28FN3O2/c1-13(21-18(25)22-19(2,3)4)15-6-5-11-23(12-15)17(24)14-7-9-16(20)10-8-14/h7-10,13,15H,5-6,11-12H2,1-4H3,(H2,21,22,25)/t13-,15-/m1/s1
InChIKeyUQUYXNPSGDZXKP-UKRRQHHQSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632703
1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea
CID 75376554
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
3-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119220587
[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 16671625
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55420124

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea (CID 95632696) is 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea is C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
The InChIKey is UQUYXNPSGDZXKP-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-13(21-18(25)22-19(2,3)4)15-6-5-11-23(12-15)17(24)14-7-9-16(20)10-8-14/h7-10,13,15H,5-6,11-12H2,1-4H3,(H2,21,22,25)/t13-,15-/m1/s1.
What are the key properties of 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea has a molecular weight of 349.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea is sourced from PubChem (CID 95632696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).