1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea

C14H28N4O3 — CID 75536725

IUPAC1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O
InChIInChI=1S/C14H28N4O3/c1-9(2)17-14(20)16-7-12-13(19)11(8-21-12)18-10-3-5-15-6-4-10/h9-13,15,18-19H,3-8H2,1-2H3,(H2,16,17,20)/t11-,12-,13+/m1/s1
InChIKeyQYDZLDCLDUNLER-UPJWGTAASA-N
MW300.40 g/mol
LogP-0.84
Rot. Bonds5

About 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea

1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea (PubChem CID 75536725) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
PubChem CID75536725
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Name1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O
InChIInChI=1S/C14H28N4O3/c1-9(2)17-14(20)16-7-12-13(19)11(8-21-12)18-10-3-5-15-6-4-10/h9-13,15,18-19H,3-8H2,1-2H3,(H2,16,17,20)/t11-,12-,13+/m1/s1
InChIKeyQYDZLDCLDUNLER-UPJWGTAASA-N
XLogP-0.84
TPSA94.65 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea with MolForge

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Related Compounds

1-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75367101
1-[[4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 162971475
1-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536720
1-[(3,4-dihydroxyoxan-2-yl)methyl]-3-propan-2-ylurea
CID 176953237
N-[[3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 162789996
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536517
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
1-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-pyrrolidin-1-yloxolan-2-yl]methyl]-3-propan-2-ylurea
CID 28961554
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 162789752
(2R,3S,4R,5S)-2-[(propan-2-ylamino)methyl]oxane-3,4,5-triol
CID 170289565
2-(piperidin-4-ylamino)-N-propan-2-ylacetamide
CID 61016594

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea (CID 75536725) is 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O.
What is the InChIKey of 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea?
The InChIKey is QYDZLDCLDUNLER-UPJWGTAASA-N. The full InChI is InChI=1S/C14H28N4O3/c1-9(2)17-14(20)16-7-12-13(19)11(8-21-12)18-10-3-5-15-6-4-10/h9-13,15,18-19H,3-8H2,1-2H3,(H2,16,17,20)/t11-,12-,13+/m1/s1.
What are the key properties of 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea?
1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea has a molecular weight of 300.40 g/mol, XLogP of -0.84, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 75536725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).