1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea

C14H29N3O2 — CID 118591712

IUPAC1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea
SMILESCCC(O)CN1CCC[C@@H](NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-5-12(18)10-17-8-6-7-11(9-17)15-13(19)16-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H2,15,16,19)/t11-,12?/m1/s1
InChIKeyGNZWCBWMVXPTIG-JHJMLUEUSA-N
MW271.40 g/mol
LogP1.32
Rot. Bonds4

About 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea

1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea (PubChem CID 118591712) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea
PubChem CID118591712
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea
SMILESCCC(O)CN1CCC[C@@H](NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H29N3O2/c1-5-12(18)10-17-8-6-7-11(9-17)15-13(19)16-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H2,15,16,19)/t11-,12?/m1/s1
InChIKeyGNZWCBWMVXPTIG-JHJMLUEUSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea?
The IUPAC name of 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea (CID 118591712) is 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea is CCC(O)CN1CCC[C@@H](NC(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea?
The InChIKey is GNZWCBWMVXPTIG-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-12(18)10-17-8-6-7-11(9-17)15-13(19)16-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H2,15,16,19)/t11-,12?/m1/s1.
What are the key properties of 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea?
1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea has a molecular weight of 271.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3R)-1-(2-hydroxybutyl)piperidin-3-yl]urea is sourced from PubChem (CID 118591712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).