2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide

C18H29N5O2 — CID 71908932

IUPAC2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1CCN(CC(=O)Nc2ccncc2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)20-17(24)12-22(3)16-6-10-23(11-7-16)13-18(25)21-15-4-8-19-9-5-15/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyANGFPIGGQJAVLF-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.94
Rot. Bonds7

About 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide

2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 71908932) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide
PubChem CID71908932
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1CCN(CC(=O)Nc2ccncc2)CC1
InChIInChI=1S/C18H29N5O2/c1-14(2)20-17(24)12-22(3)16-6-10-23(11-7-16)13-18(25)21-15-4-8-19-9-5-15/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyANGFPIGGQJAVLF-UHFFFAOYSA-N
XLogP0.94
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
2-[(4-hydroxycyclohexyl)-methylamino]-N-propan-2-ylacetamide
CID 114762510
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 111497018
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
(2R)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30621428
N-(4-chlorophenyl)-2-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]acetamide
CID 47091049
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 97027064
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide (CID 71908932) is 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide is CC(C)NC(=O)CN(C)C1CCN(CC(=O)Nc2ccncc2)CC1.
What is the InChIKey of 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is ANGFPIGGQJAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(2)20-17(24)12-22(3)16-6-10-23(11-7-16)13-18(25)21-15-4-8-19-9-5-15/h4-5,8-9,14,16H,6-7,10-13H2,1-3H3,(H,20,24)(H,19,21,25).
What are the key properties of 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide?
2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 347.46 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 71908932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).