[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C19H33N5O — CID 70743628

IUPAC[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C1CCN(C(=O)c2cnn(C(C)C)c2)CC1)N1CCN(C)CC1
InChIInChI=1S/C19H33N5O/c1-15(2)24-14-18(13-20-24)19(25)23-7-5-17(6-8-23)16(3)22-11-9-21(4)10-12-22/h13-17H,5-12H2,1-4H3
InChIKeyHWJBBIULYWPCBL-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.95
Rot. Bonds4

About [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 70743628) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID70743628
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C1CCN(C(=O)c2cnn(C(C)C)c2)CC1)N1CCN(C)CC1
InChIInChI=1S/C19H33N5O/c1-15(2)24-14-18(13-20-24)19(25)23-7-5-17(6-8-23)16(3)22-11-9-21(4)10-12-22/h13-17H,5-12H2,1-4H3
InChIKeyHWJBBIULYWPCBL-UHFFFAOYSA-N
XLogP1.95
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
(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
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97149202
[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 92581626
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70752368
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503662
3-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 70715383
1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97134600
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 70743628) is [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C1CCN(C(=O)c2cnn(C(C)C)c2)CC1)N1CCN(C)CC1.
What is the InChIKey of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is HWJBBIULYWPCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-15(2)24-14-18(13-20-24)19(25)23-7-5-17(6-8-23)16(3)22-11-9-21(4)10-12-22/h13-17H,5-12H2,1-4H3.
What are the key properties of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 347.51 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 70743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).