1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea

C13H28N4O2 — CID 89492886

IUPAC1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)N[C@@H]1CCCN(CC(O)CN)C1
InChIInChI=1S/C13H28N4O2/c1-13(2,3)16-12(19)15-10-5-4-6-17(8-10)9-11(18)7-14/h10-11,18H,4-9,14H2,1-3H3,(H2,15,16,19)/t10-,11?/m1/s1
InChIKeyGFOXACQWBZZNII-NFJWQWPMSA-N
MW272.39 g/mol
LogP-0.13
Rot. Bonds4

About 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea

1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea (PubChem CID 89492886) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea
PubChem CID89492886
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea
SMILESCC(C)(C)NC(=O)N[C@@H]1CCCN(CC(O)CN)C1
InChIInChI=1S/C13H28N4O2/c1-13(2,3)16-12(19)15-10-5-4-6-17(8-10)9-11(18)7-14/h10-11,18H,4-9,14H2,1-3H3,(H2,15,16,19)/t10-,11?/m1/s1
InChIKeyGFOXACQWBZZNII-NFJWQWPMSA-N
XLogP-0.13
TPSA90.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea?
The IUPAC name of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea (CID 89492886) is 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea?
The canonical SMILES for 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea is CC(C)(C)NC(=O)N[C@@H]1CCCN(CC(O)CN)C1.
What is the InChIKey of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea?
The InChIKey is GFOXACQWBZZNII-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-13(2,3)16-12(19)15-10-5-4-6-17(8-10)9-11(18)7-14/h10-11,18H,4-9,14H2,1-3H3,(H2,15,16,19)/t10-,11?/m1/s1.
What are the key properties of 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea?
1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea has a molecular weight of 272.39 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-amino-2-hydroxypropyl)piperidin-3-yl]-3-tert-butylurea is sourced from PubChem (CID 89492886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).