1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

C18H19N5O — CID 126887160

IUPAC1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C18H19N5O/c24-18(15-2-1-3-16-14(15)4-9-20-16)23-10-6-13(7-11-23)22-17-5-8-19-12-21-17/h1-5,8-9,12-13,20H,6-7,10-11H2,(H,19,21,22)
InChIKeyWUXNRBSGUGLNCZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.67
Rot. Bonds3

About 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 126887160) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID126887160
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C18H19N5O/c24-18(15-2-1-3-16-14(15)4-9-20-16)23-10-6-13(7-11-23)22-17-5-8-19-12-21-17/h1-5,8-9,12-13,20H,6-7,10-11H2,(H,19,21,22)
InChIKeyWUXNRBSGUGLNCZ-UHFFFAOYSA-N
XLogP2.67
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
3-[[1-(1H-indole-4-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942543
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887533
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788336
3-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126888381
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887074
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 126887160) is 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(c1cccc2[nH]ccc12)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is WUXNRBSGUGLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(15-2-1-3-16-14(15)4-9-20-16)23-10-6-13(7-11-23)22-17-5-8-19-12-21-17/h1-5,8-9,12-13,20H,6-7,10-11H2,(H,19,21,22).
What are the key properties of 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 321.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 126887160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).