5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one

C12H21N3O2 — CID 81470340

IUPAC5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESNCC1CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O2/c13-7-9-3-5-15(6-4-9)12(17)10-1-2-11(16)14-8-10/h9-10H,1-8,13H2,(H,14,16)
InChIKeyIZRQUADLFWJNEE-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.29
Rot. Bonds2

About 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one

5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 81470340) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID81470340
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESNCC1CCN(C(=O)C2CCC(=O)NC2)CC1
InChIInChI=1S/C12H21N3O2/c13-7-9-3-5-15(6-4-9)12(17)10-1-2-11(16)14-8-10/h9-10H,1-8,13H2,(H,14,16)
InChIKeyIZRQUADLFWJNEE-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]piperidin-2-one
CID 78968223
5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidin-2-one
CID 112732285
4-(6-oxopiperidine-3-carbonyl)piperazine-1-sulfonamide
CID 78954698
5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 78928154
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
CID 81483173
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
5-[2-(2-aminoethyl)piperidine-1-carbonyl]piperidin-2-one
CID 83192038
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one (CID 81470340) is 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one is NCC1CCN(C(=O)C2CCC(=O)NC2)CC1.
What is the InChIKey of 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is IZRQUADLFWJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-7-9-3-5-15(6-4-9)12(17)10-1-2-11(16)14-8-10/h9-10H,1-8,13H2,(H,14,16).
What are the key properties of 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one?
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 81470340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).