2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide

C20H27N5O2 — CID 118795123

IUPAC2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
SMILESNCCOc1cccc(CC(=O)NCC2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C20H27N5O2/c21-7-11-27-18-6-1-4-16(12-18)13-19(26)24-14-17-5-2-10-25(15-17)20-22-8-3-9-23-20/h1,3-4,6,8-9,12,17H,2,5,7,10-11,13-15,21H2,(H,24,26)
InChIKeyUEXSPJZGHMFRFZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.39
Rot. Bonds8

About 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide

2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide (PubChem CID 118795123) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
PubChem CID118795123
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
SMILESNCCOc1cccc(CC(=O)NCC2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C20H27N5O2/c21-7-11-27-18-6-1-4-16(12-18)13-19(26)24-14-17-5-2-10-25(15-17)20-22-8-3-9-23-20/h1,3-4,6,8-9,12,17H,2,5,7,10-11,13-15,21H2,(H,24,26)
InChIKeyUEXSPJZGHMFRFZ-UHFFFAOYSA-N
XLogP1.39
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
CID 90652236
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 126450881
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
CID 97138878
2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171153351
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
CID 99926421
2-[3-(2-aminoethoxy)phenyl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 126436200

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide (CID 118795123) is 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide is NCCOc1cccc(CC(=O)NCC2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
The InChIKey is UEXSPJZGHMFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c21-7-11-27-18-6-1-4-16(12-18)13-19(26)24-14-17-5-2-10-25(15-17)20-22-8-3-9-23-20/h1,3-4,6,8-9,12,17H,2,5,7,10-11,13-15,21H2,(H,24,26).
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide?
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 118795123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).