[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

C19H30N4O — CID 110259662

IUPAC[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3CC34CCC4)CC2)nn1C
InChIInChI=1S/C19H30N4O/c1-21(2)13-15-11-17(20-22(15)3)14-5-9-23(10-6-14)18(24)16-12-19(16)7-4-8-19/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeySHMLIUDXTXKMTN-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.38
Rot. Bonds4

About [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone

[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (PubChem CID 110259662) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
PubChem CID110259662
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3CC34CCC4)CC2)nn1C
InChIInChI=1S/C19H30N4O/c1-21(2)13-15-11-17(20-22(15)3)14-5-9-23(10-6-14)18(24)16-12-19(16)7-4-8-19/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeySHMLIUDXTXKMTN-UHFFFAOYSA-N
XLogP2.38
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The IUPAC name of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone (CID 110259662) is [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone.
What is the SMILES notation for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The canonical SMILES for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is CN(C)Cc1cc(C2CCN(C(=O)C3CC34CCC4)CC2)nn1C.
What is the InChIKey of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
The InChIKey is SHMLIUDXTXKMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21(2)13-15-11-17(20-22(15)3)14-5-9-23(10-6-14)18(24)16-12-19(16)7-4-8-19/h11,14,16H,4-10,12-13H2,1-3H3.
What are the key properties of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone?
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone has a molecular weight of 330.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone is sourced from PubChem (CID 110259662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).