1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one

C16H26N4O — CID 68719868

IUPAC1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(Nc2ccc(N)cn2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)3-6-16(21)20-9-7-14(8-10-20)19-15-5-4-13(17)11-18-15/h4-5,11-12,14H,3,6-10,17H2,1-2H3,(H,18,19)
InChIKeyQPVXVLGEAOTMEQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one

1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one (PubChem CID 68719868) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
PubChem CID68719868
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(Nc2ccc(N)cn2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)3-6-16(21)20-9-7-14(8-10-20)19-15-5-4-13(17)11-18-15/h4-5,11-12,14H,3,6-10,17H2,1-2H3,(H,18,19)
InChIKeyQPVXVLGEAOTMEQ-UHFFFAOYSA-N
XLogP2.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 68722687
2-N-cyclopropylpyridine-2,5-diamine
CID 16776026
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
N-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide
CID 75516293
6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053315
4-[5-[4-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]butan-1-one
CID 88872935
1-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]-3-methylbutan-1-one;molecular hydrogen
CID 144655303
4-[5-(4-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]butan-1-one
CID 58577071
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one (CID 68719868) is 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC(Nc2ccc(N)cn2)CC1.
What is the InChIKey of 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is QPVXVLGEAOTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)3-6-16(21)20-9-7-14(8-10-20)19-15-5-4-13(17)11-18-15/h4-5,11-12,14H,3,6-10,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one?
1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-amino-2-pyridinyl)amino]piperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 68719868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).