(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide

C16H28N4O2 — CID 97101977

IUPAC(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C
InChIInChI=1S/C16H28N4O2/c1-11-8-12(2)10-19(9-11)16(21)17-15-13(3)18-20(14(15)4)6-7-22-5/h11-12H,6-10H2,1-5H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyIRFCFRUKQUUVSN-RYUDHWBXSA-N
MW308.43 g/mol
LogP2.66
Rot. Bonds4

About (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide

(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 97101977) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
PubChem CID97101977
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C
InChIInChI=1S/C16H28N4O2/c1-11-8-12(2)10-19(9-11)16(21)17-15-13(3)18-20(14(15)4)6-7-22-5/h11-12H,6-10H2,1-5H3,(H,17,21)/t11-,12-/m0/s1
InChIKeyIRFCFRUKQUUVSN-RYUDHWBXSA-N
XLogP2.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide (CID 97101977) is (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide is COCCn1nc(C)c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C.
What is the InChIKey of (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is IRFCFRUKQUUVSN-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-8-12(2)10-19(9-11)16(21)17-15-13(3)18-20(14(15)4)6-7-22-5/h11-12H,6-10H2,1-5H3,(H,17,21)/t11-,12-/m0/s1.
What are the key properties of (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide?
(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 97101977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).