3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide

C16H24N6O — CID 124590228

IUPAC3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
SMILESCn1cc(CCC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1
InChIInChI=1S/C16H24N6O/c1-20-10-13(8-17-20)5-6-16(23)19-14-4-3-7-22(11-14)15-9-18-21(2)12-15/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyGNIATLGWZNKUED-CQSZACIVSA-N
MW316.41 g/mol
LogP0.87
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide

3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide (PubChem CID 124590228) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
PubChem CID124590228
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
SMILESCn1cc(CCC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1
InChIInChI=1S/C16H24N6O/c1-20-10-13(8-17-20)5-6-16(23)19-14-4-3-7-22(11-14)15-9-18-21(2)12-15/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyGNIATLGWZNKUED-CQSZACIVSA-N
XLogP0.87
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 95967438
1-[(2S)-2-cyclopropyl-2-hydroxyethyl]-3-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 100900899
(1S,6S)-N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99775077
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-3-piperidin-4-ylbutanamide
CID 119889326
1-[2-(2-hydroxyethyl)pentyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 111507767
1-amino-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119889303
N-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 124590300
1-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126772468
1-cyclobutyl-2-ethyl-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine;hydroiodide
CID 119154152

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide (CID 124590228) is 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide is Cn1cc(CCC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide?
The InChIKey is GNIATLGWZNKUED-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-10-13(8-17-20)5-6-16(23)19-14-4-3-7-22(11-14)15-9-18-21(2)12-15/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide has a molecular weight of 316.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 124590228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).