[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid

C7H15N2O4P — CID 14850749

IUPAC[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
SMILESNC(=O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1
InChIInChI=1S/C7H15N2O4P/c8-7(10)6-3-5(1-2-9-6)4-14(11,12)13/h5-6,9H,1-4H2,(H2,8,10)(H2,11,12,13)/t5-,6+/m0/s1
InChIKeyTVXULZQNJJZDGN-NTSWFWBYSA-N
MW222.18 g/mol
LogP-0.98
Rot. Bonds3

About [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid

[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid (PubChem CID 14850749) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid.

Molecular Properties

Compound Name[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
PubChem CID14850749
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
SMILESNC(=O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1
InChIInChI=1S/C7H15N2O4P/c8-7(10)6-3-5(1-2-9-6)4-14(11,12)13/h5-6,9H,1-4H2,(H2,8,10)(H2,11,12,13)/t5-,6+/m0/s1
InChIKeyTVXULZQNJJZDGN-NTSWFWBYSA-N
XLogP-0.98
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
(2-propoxycarbonylpiperidin-4-yl)methylphosphonic acid
CID 14850696
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
(2R,4S)-piperidine-2,4-dicarboxamide
CID 95970376
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
4-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 106778520
ethyl (2S,4R)-4-(diethoxyphosphorylmethyl)piperidine-2-carboxylate
CID 54250756
4-[(2,6-difluorophenyl)methyl]piperidine-2-carboxamide
CID 106781724
2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
CID 71756318
4-[(4-propan-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 106778616
(2R,4S)-4-tert-butylpiperidine-2-carboxamide
CID 178190291

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid?
The IUPAC name of [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid (CID 14850749) is [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid.
What is the SMILES notation for [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid?
The canonical SMILES for [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid is NC(=O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1.
What is the InChIKey of [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid?
The InChIKey is TVXULZQNJJZDGN-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H15N2O4P/c8-7(10)6-3-5(1-2-9-6)4-14(11,12)13/h5-6,9H,1-4H2,(H2,8,10)(H2,11,12,13)/t5-,6+/m0/s1.
What are the key properties of [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid?
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid has a molecular weight of 222.18 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid is sourced from PubChem (CID 14850749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).