1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid

C15H27N3O3 — CID 103244498

IUPAC1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN1CCCCC1CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-17-7-3-2-4-13(17)10-16-11-14(19)18-8-5-12(6-9-18)15(20)21/h12-13,16H,2-11H2,1H3,(H,20,21)
InChIKeyXNTJUEOUBPDEED-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.38
Rot. Bonds5

About 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103244498) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID103244498
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
SMILESCN1CCCCC1CNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-17-7-3-2-4-13(17)10-16-11-14(19)18-8-5-12(6-9-18)15(20)21/h12-13,16H,2-11H2,1H3,(H,20,21)
InChIKeyXNTJUEOUBPDEED-UHFFFAOYSA-N
XLogP0.38
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrrolidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103236027
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-[(3-hydroxycyclopentyl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 106136922
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid (CID 103244498) is 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid is CN1CCCCC1CNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is XNTJUEOUBPDEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17-7-3-2-4-13(17)10-16-11-14(19)18-8-5-12(6-9-18)15(20)21/h12-13,16H,2-11H2,1H3,(H,20,21).
What are the key properties of 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103244498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).