(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone

C12H22N2O — CID 119380695

IUPAC(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
SMILESCCCC1(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C12H22N2O/c1-2-5-12(6-7-12)11(15)14-8-3-4-10(13)9-14/h10H,2-9,13H2,1H3
InChIKeyLREGXHHJFIIBIV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone

(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone (PubChem CID 119380695) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
PubChem CID119380695
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
SMILESCCCC1(C(=O)N2CCCC(N)C2)CC1
InChIInChI=1S/C12H22N2O/c1-2-5-12(6-7-12)11(15)14-8-3-4-10(13)9-14/h10H,2-9,13H2,1H3
InChIKeyLREGXHHJFIIBIV-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119465050
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119492357
(3-aminopiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 103840779
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone (CID 119380695) is (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone is CCCC1(C(=O)N2CCCC(N)C2)CC1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone?
The InChIKey is LREGXHHJFIIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-5-12(6-7-12)11(15)14-8-3-4-10(13)9-14/h10H,2-9,13H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone?
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone is sourced from PubChem (CID 119380695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).