2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one

C23H28N6O — CID 136508716

IUPAC2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)nc(NC2CCCNC2)c1-c1ccc2ccccc2n1
InChIInChI=1S/C23H28N6O/c30-22-20(19-11-10-16-7-2-3-9-18(16)26-19)21(25-17-8-6-12-24-15-17)27-23(28-22)29-13-4-1-5-14-29/h2-3,7,9-11,17,24H,1,4-6,8,12-15H2,(H2,25,27,28,30)
InChIKeyDQGGUBCDSYTNIA-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.14
Rot. Bonds4

About 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one

2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one (PubChem CID 136508716) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
PubChem CID136508716
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)nc(NC2CCCNC2)c1-c1ccc2ccccc2n1
InChIInChI=1S/C23H28N6O/c30-22-20(19-11-10-16-7-2-3-9-18(16)26-19)21(25-17-8-6-12-24-15-17)27-23(28-22)29-13-4-1-5-14-29/h2-3,7,9-11,17,24H,1,4-6,8,12-15H2,(H2,25,27,28,30)
InChIKeyDQGGUBCDSYTNIA-UHFFFAOYSA-N
XLogP3.14
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(3-phosphanylpyrrolidin-1-yl)-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 137296206
2-(3-hydroxy-3-methylazetidin-1-yl)-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136983824
2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136984169
2-(3-methoxy-3-methylazetidin-1-yl)-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136508862
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136983861
5-(1,3-benzothiazol-2-yl)-2-piperidin-1-yl-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 136504513
2-(3,3-dioxo-3λ6-thia-6-azabicyclo[3.2.1]octan-6-yl)-4-[[(3R)-piperidin-3-yl]amino]-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136504478
4-[[(3R,6S)-6-methylpiperidin-3-yl]amino]-2-morpholin-4-yl-5-quinolin-2-yl-1H-pyrimidin-6-one
CID 136932638
4-(azepan-3-ylamino)-5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 136983946
5-(1,3-benzothiazol-2-yl)-4-(piperidin-3-ylamino)-2-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136983943
5-(1,3-benzothiazol-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136504511
5-(1,3-benzothiazol-2-yl)-2-morpholin-4-yl-4-(pyrrolidin-3-ylamino)-1H-pyrimidin-6-one;hydrochloride
CID 136983940

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one (CID 136508716) is 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCCC2)nc(NC2CCCNC2)c1-c1ccc2ccccc2n1.
What is the InChIKey of 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?
The InChIKey is DQGGUBCDSYTNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c30-22-20(19-11-10-16-7-2-3-9-18(16)26-19)21(25-17-8-6-12-24-15-17)27-23(28-22)29-13-4-1-5-14-29/h2-3,7,9-11,17,24H,1,4-6,8,12-15H2,(H2,25,27,28,30).
What are the key properties of 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?
2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one has a molecular weight of 404.52 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136508716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).