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

C14H30N4O — CID 89492883

IUPAC1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea
SMILESC[C@@H](CN)CN1CCC[C@@H](NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H30N4O/c1-11(8-15)9-18-7-5-6-12(10-18)16-13(19)17-14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H2,16,17,19)/t11-,12+/m0/s1
InChIKeyCSQLZMDJHOHOFK-NWDGAFQWSA-N
MW270.42 g/mol
LogP1.14
Rot. Bonds4

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

1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea (PubChem CID 89492883) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea.

Molecular Properties

Compound Name1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea
PubChem CID89492883
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea
SMILESC[C@@H](CN)CN1CCC[C@@H](NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C14H30N4O/c1-11(8-15)9-18-7-5-6-12(10-18)16-13(19)17-14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H2,16,17,19)/t11-,12+/m0/s1
InChIKeyCSQLZMDJHOHOFK-NWDGAFQWSA-N
XLogP1.14
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
CID 123509031
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-tert-butyl-3-cyclobutylurea
CID 17217146
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[(azetidin-3-ylmethylamino)methyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 90210444
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[(2-methoxyethylamino)methyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 90210442
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744
1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
CID 95051746
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
1-(3-amino-2-methylpropyl)-3-cyclobutylurea
CID 116658132

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea?
The IUPAC name of 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea (CID 89492883) is 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea.
What is the SMILES notation for 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea?
The canonical SMILES for 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea is C[C@@H](CN)CN1CCC[C@@H](NC(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea?
The InChIKey is CSQLZMDJHOHOFK-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(8-15)9-18-7-5-6-12(10-18)16-13(19)17-14(2,3)4/h11-12H,5-10,15H2,1-4H3,(H2,16,17,19)/t11-,12+/m0/s1.
What are the key properties of 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea?
1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea has a molecular weight of 270.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(2S)-3-amino-2-methylpropyl]piperidin-3-yl]-3-tert-butylurea is sourced from PubChem (CID 89492883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).