(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C16H28N4O2 — CID 124607594

IUPAC(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H28N4O2/c1-12(10-16(2,3)22-4)18-15(21)20-9-5-6-13(11-20)14-7-8-17-19-14/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,17,19)(H,18,21)/t12-,13+/m0/s1
InChIKeyPGFVLKDZMHBVHY-QWHCGFSZSA-N
MW308.43 g/mol
LogP2.50
Rot. Bonds5

About (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 124607594) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID124607594
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H28N4O2/c1-12(10-16(2,3)22-4)18-15(21)20-9-5-6-13(11-20)14-7-8-17-19-14/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,17,19)(H,18,21)/t12-,13+/m0/s1
InChIKeyPGFVLKDZMHBVHY-QWHCGFSZSA-N
XLogP2.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 124607594) is (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PGFVLKDZMHBVHY-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(10-16(2,3)22-4)18-15(21)20-9-5-6-13(11-20)14-7-8-17-19-14/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,17,19)(H,18,21)/t12-,13+/m0/s1.
What are the key properties of (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124607594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).