(3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one

C6H15N4O2P — CID 86599757

IUPAC(3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one
SMILESCN[C@H]1CCCN(P(N)(N)=O)C1=O
InChIInChI=1S/C6H15N4O2P/c1-9-5-3-2-4-10(6(5)11)13(7,8)12/h5,9H,2-4H2,1H3,(H4,7,8,12)/t5-/m0/s1
InChIKeyBDQXVLSWQNTZOX-YFKPBYRVSA-N
MW206.19 g/mol
LogP-0.78
Rot. Bonds2

About (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one

(3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one (PubChem CID 86599757) has the molecular formula C6H15N4O2P and a molecular weight of 206.19 g/mol. Its IUPAC name is (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one
PubChem CID86599757
Molecular FormulaC6H15N4O2P
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name(3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one
SMILESCN[C@H]1CCCN(P(N)(N)=O)C1=O
InChIInChI=1S/C6H15N4O2P/c1-9-5-3-2-4-10(6(5)11)13(7,8)12/h5,9H,2-4H2,1H3,(H4,7,8,12)/t5-/m0/s1
InChIKeyBDQXVLSWQNTZOX-YFKPBYRVSA-N
XLogP-0.78
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2-anilinoethylamino)-1-diaminophosphorylpiperidin-2-one
CID 87757473
3-amino-1-diaminophosphorylpyrrolidin-2-one
CID 23062782
3-(methylamino)-1-(4-methylpiperazin-1-yl)piperidin-2-one
CID 83024236
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128
3-(methylamino)-1-propan-2-ylazepan-2-one
CID 22984869
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
3-(methylamino)-1-(oxolan-3-yl)piperidin-2-one
CID 80715370
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
CID 107590126
(4S,7S)-4-acetyl-7-(methylamino)-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepin-6-one
CID 59961015
1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
CID 113464183

Frequently Asked Questions

What is the IUPAC name of (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one?
The IUPAC name of (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one (CID 86599757) is (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one.
What is the SMILES notation for (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one?
The canonical SMILES for (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one is CN[C@H]1CCCN(P(N)(N)=O)C1=O.
What is the InChIKey of (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one?
The InChIKey is BDQXVLSWQNTZOX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N4O2P/c1-9-5-3-2-4-10(6(5)11)13(7,8)12/h5,9H,2-4H2,1H3,(H4,7,8,12)/t5-/m0/s1.
What are the key properties of (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one?
(3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one has a molecular weight of 206.19 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-diaminophosphoryl-3-(methylamino)piperidin-2-one is sourced from PubChem (CID 86599757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).