N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide

C19H31N5O — CID 70744666

IUPACN-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C19H31N5O/c1-16(25)20-9-8-18-7-3-6-12-24(18)15-17-13-21-19(22-14-17)23-10-4-2-5-11-23/h13-14,18H,2-12,15H2,1H3,(H,20,25)
InChIKeyIWRGILHHJFSXOX-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.35
Rot. Bonds6

About N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 70744666) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID70744666
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C19H31N5O/c1-16(25)20-9-8-18-7-3-6-12-24(18)15-17-13-21-19(22-14-17)23-10-4-2-5-11-23/h13-14,18H,2-12,15H2,1H3,(H,20,25)
InChIKeyIWRGILHHJFSXOX-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632162
N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
N-[2-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]ethyl]acetamide
CID 124641691
N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 42098553
N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 70752311
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
CID 95726395
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
N-[2-[(2S)-1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 25383210
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 125158764

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide (CID 70744666) is N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1Cc1cnc(N2CCCCC2)nc1.
What is the InChIKey of N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is IWRGILHHJFSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-16(25)20-9-8-18-7-3-6-12-24(18)15-17-13-21-19(22-14-17)23-10-4-2-5-11-23/h13-14,18H,2-12,15H2,1H3,(H,20,25).
What are the key properties of N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70744666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).