(2S)-1-iodopiperidine-2-carboxamide

C6H11IN2O — CID 154003714

IUPAC(2S)-1-iodopiperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1I
InChIInChI=1S/C6H11IN2O/c7-9-4-2-1-3-5(9)6(8)10/h5H,1-4H2,(H2,8,10)/t5-/m0/s1
InChIKeyWDJKFDZLBSMDBX-YFKPBYRVSA-N
MW254.07 g/mol
LogP0.68
Rot. Bonds1

About (2S)-1-iodopiperidine-2-carboxamide

(2S)-1-iodopiperidine-2-carboxamide (PubChem CID 154003714) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is (2S)-1-iodopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-iodopiperidine-2-carboxamide
PubChem CID154003714
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name(2S)-1-iodopiperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1I
InChIInChI=1S/C6H11IN2O/c7-9-4-2-1-3-5(9)6(8)10/h5H,1-4H2,(H2,8,10)/t5-/m0/s1
InChIKeyWDJKFDZLBSMDBX-YFKPBYRVSA-N
XLogP0.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-iodopyrrolidine-2-carboxamide
CID 90471398
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
1-(3-aminocyclopentyl)piperidine-2-carboxamide
CID 79468890
3-(2-carbamoylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897445
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-piperidin-1-ylpyrrolidine-2-carboxamide
CID 70164844
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418

Frequently Asked Questions

What is the IUPAC name of (2S)-1-iodopiperidine-2-carboxamide?
The IUPAC name of (2S)-1-iodopiperidine-2-carboxamide (CID 154003714) is (2S)-1-iodopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-iodopiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-iodopiperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1I.
What is the InChIKey of (2S)-1-iodopiperidine-2-carboxamide?
The InChIKey is WDJKFDZLBSMDBX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11IN2O/c7-9-4-2-1-3-5(9)6(8)10/h5H,1-4H2,(H2,8,10)/t5-/m0/s1.
What are the key properties of (2S)-1-iodopiperidine-2-carboxamide?
(2S)-1-iodopiperidine-2-carboxamide has a molecular weight of 254.07 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-iodopiperidine-2-carboxamide is sourced from PubChem (CID 154003714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).