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

C17H23N5O2 — CID 122275461

IUPAC(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
SMILESCN1CCC(OC(=O)NCc2cccnc2-c2cnn(C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-8-5-15(6-9-21)24-17(23)19-10-13-4-3-7-18-16(13)14-11-20-22(2)12-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3,(H,19,23)
InChIKeyAUYITZSUQMDFOU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.80
Rot. Bonds4

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

(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 122275461) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
PubChem CID122275461
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
SMILESCN1CCC(OC(=O)NCc2cccnc2-c2cnn(C)c2)CC1
InChIInChI=1S/C17H23N5O2/c1-21-8-5-15(6-9-21)24-17(23)19-10-13-4-3-7-18-16(13)14-11-20-22(2)12-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3,(H,19,23)
InChIKeyAUYITZSUQMDFOU-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

pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
2,3,4-trimethoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275363
1-(4-butoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275516
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
4-ethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dioxopiperazine-1-carboxamide
CID 122275494
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122275349

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate (CID 122275461) is (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate is CN1CCC(OC(=O)NCc2cccnc2-c2cnn(C)c2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is AUYITZSUQMDFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-8-5-15(6-9-21)24-17(23)19-10-13-4-3-7-18-16(13)14-11-20-22(2)12-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3,(H,19,23).
What are the key properties of (1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate?
(1-methylpiperidin-4-yl) N-[[2-(1-methylpyrazol-4-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-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 122275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).