(4-aminopiperidin-1-yl)-cyclopropylmethanone

C9H16N2O — CID 3163331

IUPAC(4-aminopiperidin-1-yl)-cyclopropylmethanone
SMILESNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
InChIKeyGCYSQXZPDQBVCH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.35
Rot. Bonds1

About (4-aminopiperidin-1-yl)-cyclopropylmethanone

(4-aminopiperidin-1-yl)-cyclopropylmethanone (PubChem CID 3163331) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-cyclopropylmethanone
PubChem CID3163331
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(4-aminopiperidin-1-yl)-cyclopropylmethanone
SMILESNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2
InChIKeyGCYSQXZPDQBVCH-UHFFFAOYSA-N
XLogP0.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-cyclopropylmethanone?
The IUPAC name of (4-aminopiperidin-1-yl)-cyclopropylmethanone (CID 3163331) is (4-aminopiperidin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-cyclopropylmethanone is NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-cyclopropylmethanone?
The InChIKey is GCYSQXZPDQBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2.
What are the key properties of (4-aminopiperidin-1-yl)-cyclopropylmethanone?
(4-aminopiperidin-1-yl)-cyclopropylmethanone has a molecular weight of 168.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 3163331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).