[4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone

C19H26N4O — CID 50983636

IUPAC[4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone
SMILESCCC(NC1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C
InChIInChI=1S/C19H26N4O/c1-3-17(18-9-12-20-22(18)2)21-16-10-13-23(14-11-16)19(24)15-7-5-4-6-8-15/h4-9,12,16-17,21H,3,10-11,13-14H2,1-2H3
InChIKeyCWPCKQSPKKFFNH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.77
Rot. Bonds5

About [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone

[4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 50983636) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone
PubChem CID50983636
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone
SMILESCCC(NC1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C
InChIInChI=1S/C19H26N4O/c1-3-17(18-9-12-20-22(18)2)21-16-10-13-23(14-11-16)19(24)15-7-5-4-6-8-15/h4-9,12,16-17,21H,3,10-11,13-14H2,1-2H3
InChIKeyCWPCKQSPKKFFNH-UHFFFAOYSA-N
XLogP2.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone (CID 50983636) is [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone is CCC(NC1CCN(C(=O)c2ccccc2)CC1)c1ccnn1C.
What is the InChIKey of [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is CWPCKQSPKKFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-17(18-9-12-20-22(18)2)21-16-10-13-23(14-11-16)19(24)15-7-5-4-6-8-15/h4-9,12,16-17,21H,3,10-11,13-14H2,1-2H3.
What are the key properties of [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone?
[4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 326.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methylpyrazol-3-yl)propylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 50983636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).