2-amino-N-(1-methylpiperidin-4-yl)butanediamide

C10H20N4O2 — CID 60846406

IUPAC2-amino-N-(1-methylpiperidin-4-yl)butanediamide
SMILESCN1CCC(NC(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-14-4-2-7(3-5-14)13-10(16)8(11)6-9(12)15/h7-8H,2-6,11H2,1H3,(H2,12,15)(H,13,16)
InChIKeyBMFSVQVDPVCWPM-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.60
Rot. Bonds4

About 2-amino-N-(1-methylpiperidin-4-yl)butanediamide

2-amino-N-(1-methylpiperidin-4-yl)butanediamide (PubChem CID 60846406) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-amino-N-(1-methylpiperidin-4-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(1-methylpiperidin-4-yl)butanediamide
PubChem CID60846406
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-amino-N-(1-methylpiperidin-4-yl)butanediamide
SMILESCN1CCC(NC(=O)C(N)CC(N)=O)CC1
InChIInChI=1S/C10H20N4O2/c1-14-4-2-7(3-5-14)13-10(16)8(11)6-9(12)15/h7-8H,2-6,11H2,1H3,(H2,12,15)(H,13,16)
InChIKeyBMFSVQVDPVCWPM-UHFFFAOYSA-N
XLogP-1.60
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylpiperidin-4-yl)butanediamide?
The IUPAC name of 2-amino-N-(1-methylpiperidin-4-yl)butanediamide (CID 60846406) is 2-amino-N-(1-methylpiperidin-4-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(1-methylpiperidin-4-yl)butanediamide?
The canonical SMILES for 2-amino-N-(1-methylpiperidin-4-yl)butanediamide is CN1CCC(NC(=O)C(N)CC(N)=O)CC1.
What is the InChIKey of 2-amino-N-(1-methylpiperidin-4-yl)butanediamide?
The InChIKey is BMFSVQVDPVCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-14-4-2-7(3-5-14)13-10(16)8(11)6-9(12)15/h7-8H,2-6,11H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-amino-N-(1-methylpiperidin-4-yl)butanediamide?
2-amino-N-(1-methylpiperidin-4-yl)butanediamide has a molecular weight of 228.30 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylpiperidin-4-yl)butanediamide is sourced from PubChem (CID 60846406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).