1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide

C15H28N4O2 — CID 103442118

IUPAC1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCC1CCN(CC(=O)N2CCCC(C(N)=O)C2)C(CN)C1
InChIInChI=1S/C15H28N4O2/c1-11-4-6-18(13(7-11)8-16)10-14(20)19-5-2-3-12(9-19)15(17)21/h11-13H,2-10,16H2,1H3,(H2,17,21)
InChIKeyGLXMHMVMFWWMHB-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.23
Rot. Bonds4

About 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 103442118) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID103442118
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCC1CCN(CC(=O)N2CCCC(C(N)=O)C2)C(CN)C1
InChIInChI=1S/C15H28N4O2/c1-11-4-6-18(13(7-11)8-16)10-14(20)19-5-2-3-12(9-19)15(17)21/h11-13H,2-10,16H2,1H3,(H2,17,21)
InChIKeyGLXMHMVMFWWMHB-UHFFFAOYSA-N
XLogP-0.23
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide (CID 103442118) is 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide is CC1CCN(CC(=O)N2CCCC(C(N)=O)C2)C(CN)C1.
What is the InChIKey of 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is GLXMHMVMFWWMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11-4-6-18(13(7-11)8-16)10-14(20)19-5-2-3-12(9-19)15(17)21/h11-13H,2-10,16H2,1H3,(H2,17,21).
What are the key properties of 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 296.42 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 103442118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).