(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone

C11H22N4O — CID 90427686

IUPAC(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CC(N)C(N)C2)CC1
InChIInChI=1S/C11H22N4O/c1-14-4-2-8(3-5-14)11(16)15-6-9(12)10(13)7-15/h8-10H,2-7,12-13H2,1H3
InChIKeySHVAEIWOUIACBP-UHFFFAOYSA-N
MW226.32 g/mol
LogP-1.17
Rot. Bonds1

About (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone

(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone (PubChem CID 90427686) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
PubChem CID90427686
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)N2CC(N)C(N)C2)CC1
InChIInChI=1S/C11H22N4O/c1-14-4-2-8(3-5-14)11(16)15-6-9(12)10(13)7-15/h8-10H,2-7,12-13H2,1H3
InChIKeySHVAEIWOUIACBP-UHFFFAOYSA-N
XLogP-1.17
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone (CID 90427686) is (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)N2CC(N)C(N)C2)CC1.
What is the InChIKey of (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone?
The InChIKey is SHVAEIWOUIACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-14-4-2-8(3-5-14)11(16)15-6-9(12)10(13)7-15/h8-10H,2-7,12-13H2,1H3.
What are the key properties of (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone?
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 90427686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).