N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

C19H34N6O — CID 119063153

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)cnn1C
InChIInChI=1S/C19H34N6O/c1-15-18(14-21-23(15)4)13-20-19(26)25-7-5-17(6-8-25)16(2)24-11-9-22(3)10-12-24/h14,16-17H,5-13H2,1-4H3,(H,20,26)
InChIKeyXCBAZFOMNHCSRK-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.29
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 119063153) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID119063153
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)cnn1C
InChIInChI=1S/C19H34N6O/c1-15-18(14-21-23(15)4)13-20-19(26)25-7-5-17(6-8-25)16(2)24-11-9-22(3)10-12-24/h14,16-17H,5-13H2,1-4H3,(H,20,26)
InChIKeyXCBAZFOMNHCSRK-UHFFFAOYSA-N
XLogP1.29
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 119067199
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
CID 138994694
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 119065208
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
CID 124845276
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620296

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide (CID 119063153) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is Cc1c(CNC(=O)N2CCC(C(C)N3CCN(C)CC3)CC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is XCBAZFOMNHCSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-15-18(14-21-23(15)4)13-20-19(26)25-7-5-17(6-8-25)16(2)24-11-9-22(3)10-12-24/h14,16-17H,5-13H2,1-4H3,(H,20,26).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 119063153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).