1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone

C15H23N3O — CID 118929980

IUPAC1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C(C)C)ccn2)CC1
InChIInChI=1S/C15H23N3O/c1-11(2)13-4-7-16-15(10-13)17-14-5-8-18(9-6-14)12(3)19/h4,7,10-11,14H,5-6,8-9H2,1-3H3,(H,16,17)
InChIKeyHZGCJZILTITNLT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds3

About 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone

1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone (PubChem CID 118929980) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
PubChem CID118929980
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C(C)C)ccn2)CC1
InChIInChI=1S/C15H23N3O/c1-11(2)13-4-7-16-15(10-13)17-14-5-8-18(9-6-14)12(3)19/h4,7,10-11,14H,5-6,8-9H2,1-3H3,(H,16,17)
InChIKeyHZGCJZILTITNLT-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-propan-2-ylpyridin-2-amine
CID 130369726
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
ethane;N-(4-propan-2-yl-2-pyridinyl)acetamide
CID 166478148
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
CID 144655303
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97101804
1-[4-[[2-(trifluoromethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 175818017
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
CID 72550271
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone (CID 118929980) is 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(C(C)C)ccn2)CC1.
What is the InChIKey of 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
The InChIKey is HZGCJZILTITNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)13-4-7-16-15(10-13)17-14-5-8-18(9-6-14)12(3)19/h4,7,10-11,14H,5-6,8-9H2,1-3H3,(H,16,17).
What are the key properties of 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone?
1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propan-2-yl-2-pyridinyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 118929980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).