cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone

C12H21NO — CID 58395218

IUPACcyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H21NO/c1-9(2)11-4-3-7-13(8-11)12(14)10-5-6-10/h9-11H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyYYHJQDNMBWKZKI-LLVKDONJSA-N
MW195.31 g/mol
LogP2.29
Rot. Bonds2

About cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone

cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone (PubChem CID 58395218) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
PubChem CID58395218
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namecyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H21NO/c1-9(2)11-4-3-7-13(8-11)12(14)10-5-6-10/h9-11H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyYYHJQDNMBWKZKI-LLVKDONJSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone (CID 58395218) is cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone is CC(C)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The InChIKey is YYHJQDNMBWKZKI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)11-4-3-7-13(8-11)12(14)10-5-6-10/h9-11H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone has a molecular weight of 195.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 58395218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).