1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea

C19H28FN3O2 — CID 95632703

IUPAC1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C19H28FN3O2/c1-13(21-18(25)22-19(2,3)4)14-8-7-11-23(12-14)17(24)15-9-5-6-10-16(15)20/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,21,22,25)/t13-,14+/m0/s1
InChIKeyFRNPEYPFMIUCOE-UONOGXRCSA-N
MW349.45 g/mol
LogP3.16
Rot. Bonds3

About 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea

1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea (PubChem CID 95632703) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea
PubChem CID95632703
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C19H28FN3O2/c1-13(21-18(25)22-19(2,3)4)14-8-7-11-23(12-14)17(24)15-9-5-6-10-16(15)20/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,21,22,25)/t13-,14+/m0/s1
InChIKeyFRNPEYPFMIUCOE-UONOGXRCSA-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

Analyze 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632696
1-tert-butyl-3-[(1S)-1-[(3S)-1-(thiadiazole-5-carbonyl)piperidin-3-yl]ethyl]urea
CID 97086141
1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea
CID 75376554
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
[4-(1-cyclopropylethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110708758
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 83997186
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42114058
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
3-[1-(2-methylbenzoyl)piperidin-3-yl]butanoic acid
CID 81043084

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea (CID 95632703) is 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea is C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
The InChIKey is FRNPEYPFMIUCOE-UONOGXRCSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-13(21-18(25)22-19(2,3)4)14-8-7-11-23(12-14)17(24)15-9-5-6-10-16(15)20/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,21,22,25)/t13-,14+/m0/s1.
What are the key properties of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea?
1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-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-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea is sourced from PubChem (CID 95632703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).