N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide

C15H26N6O2 — CID 35691246

IUPACN-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC(=O)N(C)Cc2cnn(C)c2)CC1
InChIInChI=1S/C15H26N6O2/c1-16-14(22)11-21-6-4-13(5-7-21)18-15(23)19(2)9-12-8-17-20(3)10-12/h8,10,13H,4-7,9,11H2,1-3H3,(H,16,22)(H,18,23)
InChIKeyYZJBYRRQRANUSJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.23
Rot. Bonds5

About N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide

N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide (PubChem CID 35691246) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide
PubChem CID35691246
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC NameN-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(NC(=O)N(C)Cc2cnn(C)c2)CC1
InChIInChI=1S/C15H26N6O2/c1-16-14(22)11-21-6-4-13(5-7-21)18-15(23)19(2)9-12-8-17-20(3)10-12/h8,10,13H,4-7,9,11H2,1-3H3,(H,16,22)(H,18,23)
InChIKeyYZJBYRRQRANUSJ-UHFFFAOYSA-N
XLogP-0.23
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide (CID 35691246) is N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(NC(=O)N(C)Cc2cnn(C)c2)CC1.
What is the InChIKey of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide?
The InChIKey is YZJBYRRQRANUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-16-14(22)11-21-6-4-13(5-7-21)18-15(23)19(2)9-12-8-17-20(3)10-12/h8,10,13H,4-7,9,11H2,1-3H3,(H,16,22)(H,18,23).
What are the key properties of N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 35691246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).