N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide

C17H30N4O — CID 72915942

IUPACN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H30N4O/c1-14(2)21-10-6-8-16(13-21)17(22)19(3)9-5-7-15-11-18-20(4)12-15/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyZVVKCADZLFACOL-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.93
Rot. Bonds6

About N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide

N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 72915942) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID72915942
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H30N4O/c1-14(2)21-10-6-8-16(13-21)17(22)19(3)9-5-7-15-11-18-20(4)12-15/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyZVVKCADZLFACOL-UHFFFAOYSA-N
XLogP1.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 72915942) is N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCCC(C(=O)N(C)CCCc2cnn(C)c2)C1.
What is the InChIKey of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is ZVVKCADZLFACOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)21-10-6-8-16(13-21)17(22)19(3)9-5-7-15-11-18-20(4)12-15/h11-12,14,16H,5-10,13H2,1-4H3.
What are the key properties of N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 72915942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).