(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide

C13H21N5O2 — CID 32602078

IUPAC(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C13H21N5O2/c1-16(7-10-6-15-17(2)8-10)12(19)11-4-3-5-18(9-11)13(14)20/h6,8,11H,3-5,7,9H2,1-2H3,(H2,14,20)/t11-/m0/s1
InChIKeyWAUQQTLEZGUKSD-NSHDSACASA-N
MW279.34 g/mol
LogP0.17
Rot. Bonds3

About (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide

(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 32602078) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID32602078
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C13H21N5O2/c1-16(7-10-6-15-17(2)8-10)12(19)11-4-3-5-18(9-11)13(14)20/h6,8,11H,3-5,7,9H2,1-2H3,(H2,14,20)/t11-/m0/s1
InChIKeyWAUQQTLEZGUKSD-NSHDSACASA-N
XLogP0.17
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide (CID 32602078) is (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide is CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is WAUQQTLEZGUKSD-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16(7-10-6-15-17(2)8-10)12(19)11-4-3-5-18(9-11)13(14)20/h6,8,11H,3-5,7,9H2,1-2H3,(H2,14,20)/t11-/m0/s1.
What are the key properties of (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-methyl-3-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 32602078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).