2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide

C14H28N4O2 — CID 65225141

IUPAC2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
SMILESCCCC(CN)C(=O)NC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C14H28N4O2/c1-3-4-11(9-15)14(20)17-12-5-7-18(8-6-12)10-13(19)16-2/h11-12H,3-10,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHPQYWRKLIWIDDQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.31
Rot. Bonds7

About 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide

2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide (PubChem CID 65225141) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
PubChem CID65225141
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
SMILESCCCC(CN)C(=O)NC1CCN(CC(=O)NC)CC1
InChIInChI=1S/C14H28N4O2/c1-3-4-11(9-15)14(20)17-12-5-7-18(8-6-12)10-13(19)16-2/h11-12H,3-10,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyHPQYWRKLIWIDDQ-UHFFFAOYSA-N
XLogP-0.31
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 65224886
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
4-amino-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]butanamide
CID 81075421
N-methyl-2-[4-(2-methylpentylamino)piperidin-1-yl]acetamide
CID 43691410
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132
N-[1-(cyanomethyl)piperidin-4-yl]-2-propylpentanamide
CID 115532353
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533
2-[4-(heptan-3-ylamino)piperidin-1-yl]-N-methylacetamide
CID 63944334
2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
CID 43435262

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide (CID 65225141) is 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide is CCCC(CN)C(=O)NC1CCN(CC(=O)NC)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide?
The InChIKey is HPQYWRKLIWIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-4-11(9-15)14(20)17-12-5-7-18(8-6-12)10-13(19)16-2/h11-12H,3-10,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide?
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide has a molecular weight of 284.40 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 65225141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).