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

C19H35N3O2 — CID 95981063

IUPAC1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1
InChIInChI=1S/C19H35N3O2/c1-14(20-17(24)21-18(2,3)4)15-9-8-12-22(13-15)16(23)19(5)10-6-7-11-19/h14-15H,6-13H2,1-5H3,(H2,20,21,24)/t14-,15+/m0/s1
InChIKeyBVYLKKSSJXIUOR-LSDHHAIUSA-N
MW337.51 g/mol
LogP3.29
Rot. Bonds3

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

1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea (PubChem CID 95981063) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea
PubChem CID95981063
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea
SMILESC[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1
InChIInChI=1S/C19H35N3O2/c1-14(20-17(24)21-18(2,3)4)15-9-8-12-22(13-15)16(23)19(5)10-6-7-11-19/h14-15H,6-13H2,1-5H3,(H2,20,21,24)/t14-,15+/m0/s1
InChIKeyBVYLKKSSJXIUOR-LSDHHAIUSA-N
XLogP3.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea (CID 95981063) is 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea is C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1.
What is the InChIKey of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea?
The InChIKey is BVYLKKSSJXIUOR-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14(20-17(24)21-18(2,3)4)15-9-8-12-22(13-15)16(23)19(5)10-6-7-11-19/h14-15H,6-13H2,1-5H3,(H2,20,21,24)/t14-,15+/m0/s1.
What are the key properties of 1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea?
1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea has a molecular weight of 337.51 g/mol, XLogP of 3.29, 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-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea is sourced from PubChem (CID 95981063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).