N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H25N5O2 — CID 120937037

IUPACN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H25N5O2/c1-12(13(21)16-2)11-19(3)14(22)15(5-8-17-9-6-15)20-10-4-7-18-20/h4,7,10,12,17H,5-6,8-9,11H2,1-3H3,(H,16,21)
InChIKeyONRLAFSAPHPEGC-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.20
Rot. Bonds5

About N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120937037) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120937037
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H25N5O2/c1-12(13(21)16-2)11-19(3)14(22)15(5-8-17-9-6-15)20-10-4-7-18-20/h4,7,10,12,17H,5-6,8-9,11H2,1-3H3,(H,16,21)
InChIKeyONRLAFSAPHPEGC-UHFFFAOYSA-N
XLogP-0.20
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120937037) is N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CNC(=O)C(C)CN(C)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ONRLAFSAPHPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(13(21)16-2)11-19(3)14(22)15(5-8-17-9-6-15)20-10-4-7-18-20/h4,7,10,12,17H,5-6,8-9,11H2,1-3H3,(H,16,21).
What are the key properties of N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120937037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).