(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C13H25N3O2 — CID 119875808

IUPAC(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(14)13(17)16-4-2-3-12(10-16)9-15-5-7-18-8-6-15/h11-12H,2-10,14H2,1H3/t11-,12?/m1/s1
InChIKeyHXGMIKNPCUGNBN-JHJMLUEUSA-N
MW255.36 g/mol
LogP-0.10
Rot. Bonds3

About (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 119875808) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID119875808
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(14)13(17)16-4-2-3-12(10-16)9-15-5-7-18-8-6-15/h11-12H,2-10,14H2,1H3/t11-,12?/m1/s1
InChIKeyHXGMIKNPCUGNBN-JHJMLUEUSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
2-[1-(2-aminopropanoyl)piperidin-3-yl]acetamide;hydrochloride
CID 119339824
(2S)-2-amino-4-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 119867618
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 124877286
(3R)-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 124616862
(2S)-2-(3-methyl-4-propan-2-ylphenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 95319915
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 119875808) is (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is HXGMIKNPCUGNBN-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(14)13(17)16-4-2-3-12(10-16)9-15-5-7-18-8-6-15/h11-12H,2-10,14H2,1H3/t11-,12?/m1/s1.
What are the key properties of (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119875808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).