(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate

C17H23N5O2 — CID 122274109

IUPAC(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
SMILESCN1CCC(OC(=O)NCc2cncc(-c3ccnn3C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-7-4-15(5-8-21)24-17(23)19-11-13-9-14(12-18-10-13)16-3-6-20-22(16)2/h3,6,9-10,12,15H,4-5,7-8,11H2,1-2H3,(H,19,23)
InChIKeyKFUIZEYTJDWOOD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.80
Rot. Bonds4

About (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate

(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 122274109) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
PubChem CID122274109
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
SMILESCN1CCC(OC(=O)NCc2cncc(-c3ccnn3C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-7-4-15(5-8-21)24-17(23)19-11-13-9-14(12-18-10-13)16-3-6-20-22(16)2/h3,6,9-10,12,15H,4-5,7-8,11H2,1-2H3,(H,19,23)
InChIKeyKFUIZEYTJDWOOD-UHFFFAOYSA-N
XLogP1.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 122274126
1-[(2,4-difluorophenyl)methyl]-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274137
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 122274120
(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 122275461
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate (CID 122274109) is (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate is CN1CCC(OC(=O)NCc2cncc(-c3ccnn3C)c2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is KFUIZEYTJDWOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-7-4-15(5-8-21)24-17(23)19-11-13-9-14(12-18-10-13)16-3-6-20-22(16)2/h3,6,9-10,12,15H,4-5,7-8,11H2,1-2H3,(H,19,23).
What are the key properties of (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate?
(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 122274109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).