1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile

C9H13ClN2O — CID 129322323

IUPAC1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
SMILESC[C@@H](Cl)C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C9H13ClN2O/c1-7(10)9(13)12-4-2-8(6-11)3-5-12/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyKCYMEYXEEPIINZ-SSDOTTSWSA-N
MW200.67 g/mol
LogP1.38
Rot. Bonds1

About 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile

1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile (PubChem CID 129322323) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
PubChem CID129322323
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
SMILESC[C@@H](Cl)C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C9H13ClN2O/c1-7(10)9(13)12-4-2-8(6-11)3-5-12/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyKCYMEYXEEPIINZ-SSDOTTSWSA-N
XLogP1.38
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-fluoropiperidin-1-yl)propan-1-one
CID 121200830
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
4-cyano-N-methylpiperidine-1-carboxamide
CID 78942309
1-acetylazepane-4-carbonitrile
CID 143511927
2-chloro-1-[4-(1,1-difluoroethyl)piperidin-1-yl]propan-1-one
CID 121202485
1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
CID 164650433
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
(3S)-5-(4-cyanopiperidin-1-yl)-3-methyl-5-oxopentanamide
CID 71236530

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile (CID 129322323) is 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile is C[C@@H](Cl)C(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile?
The InChIKey is KCYMEYXEEPIINZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7(10)9(13)12-4-2-8(6-11)3-5-12/h7-8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile?
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile has a molecular weight of 200.67 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 129322323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).