[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone

C16H26N4O — CID 62169915

IUPAC[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(N(C)C)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-4-9-17-15-6-5-13(12-18-15)16(21)20-10-7-14(8-11-20)19(2)3/h5-6,12,14H,4,7-11H2,1-3H3,(H,17,18)
InChIKeyUDZRPEXQKGGZGU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds5

About [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone

[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone (PubChem CID 62169915) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
PubChem CID62169915
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(N(C)C)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-4-9-17-15-6-5-13(12-18-15)16(21)20-10-7-14(8-11-20)19(2)3/h5-6,12,14H,4,7-11H2,1-3H3,(H,17,18)
InChIKeyUDZRPEXQKGGZGU-UHFFFAOYSA-N
XLogP2.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone (CID 62169915) is [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone is CCCNc1ccc(C(=O)N2CCC(N(C)C)CC2)cn1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
The InChIKey is UDZRPEXQKGGZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-9-17-15-6-5-13(12-18-15)16(21)20-10-7-14(8-11-20)19(2)3/h5-6,12,14H,4,7-11H2,1-3H3,(H,17,18).
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62169915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).