(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C16H24N4O — CID 62160832

IUPAC(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ccnc(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H24N4O/c17-13-4-7-18-15(12-13)16(21)20-10-5-14(6-11-20)19-8-2-1-3-9-19/h4,7,12,14H,1-3,5-6,8-11H2,(H2,17,18)
InChIKeyXKVFXNIPOPUSRG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.75
Rot. Bonds2

About (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 62160832) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID62160832
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNc1ccnc(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C16H24N4O/c17-13-4-7-18-15(12-13)16(21)20-10-5-14(6-11-20)19-8-2-1-3-9-19/h4,7,12,14H,1-3,5-6,8-11H2,(H2,17,18)
InChIKeyXKVFXNIPOPUSRG-UHFFFAOYSA-N
XLogP1.75
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(4-amino-1H-pyrrol-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61114248
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(5-amino-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120641373
[5-(4-aminopyridine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50951583
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]methanone
CID 167840924
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(4-amino-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62154675
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 62160832) is (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is Nc1ccnc(C(=O)N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is XKVFXNIPOPUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-13-4-7-18-15(12-13)16(21)20-10-5-14(6-11-20)19-8-2-1-3-9-19/h4,7,12,14H,1-3,5-6,8-11H2,(H2,17,18).
What are the key properties of (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 62160832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).