[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone

C18H31N5O — CID 110259661

IUPAC[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3CCCNC3)CC2)nn1C
InChIInChI=1S/C18H31N5O/c1-21(2)13-16-11-17(20-22(16)3)14-6-9-23(10-7-14)18(24)15-5-4-8-19-12-15/h11,14-15,19H,4-10,12-13H2,1-3H3
InChIKeyDMTOBOIEVOUGQC-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.19
Rot. Bonds4

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

[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 110259661) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
PubChem CID110259661
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone
SMILESCN(C)Cc1cc(C2CCN(C(=O)C3CCCNC3)CC2)nn1C
InChIInChI=1S/C18H31N5O/c1-21(2)13-16-11-17(20-22(16)3)14-6-9-23(10-7-14)18(24)15-5-4-8-19-12-15/h11,14-15,19H,4-10,12-13H2,1-3H3
InChIKeyDMTOBOIEVOUGQC-UHFFFAOYSA-N
XLogP1.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110092565
N,2-dimethyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]propanamide
CID 92623880
2-cyclohexyl-N-methyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]acetamide
CID 92623846
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]ethanone
CID 92624514
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
1-[(1-methyl-3-piperidin-3-ylpyrazol-5-yl)methyl]piperidine
CID 172524135
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
2-(1-methyl-3-piperidin-3-ylpyrazol-5-yl)ethanol;dihydrochloride
CID 71298828

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone (CID 110259661) is [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone is CN(C)Cc1cc(C2CCN(C(=O)C3CCCNC3)CC2)nn1C.
What is the InChIKey of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is DMTOBOIEVOUGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21(2)13-16-11-17(20-22(16)3)14-6-9-23(10-7-14)18(24)15-5-4-8-19-12-15/h11,14-15,19H,4-10,12-13H2,1-3H3.
What are the key properties of [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone?
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 333.48 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 110259661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).