(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H28N4O3 — CID 124615352

IUPAC(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC[C@H]1COC2(CCCCC2)O1)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H28N4O3/c23-17(22-10-4-5-14(12-22)16-6-9-20-21-16)19-11-15-13-24-18(25-15)7-2-1-3-8-18/h6,9,14-15H,1-5,7-8,10-13H2,(H,19,23)(H,20,21)/t14-,15+/m1/s1
InChIKeyNGPZRMVERJQOIT-CABCVRRESA-N
MW348.45 g/mol
LogP2.37
Rot. Bonds3

About (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 124615352) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID124615352
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC[C@H]1COC2(CCCCC2)O1)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H28N4O3/c23-17(22-10-4-5-14(12-22)16-6-9-20-21-16)19-11-15-13-24-18(25-15)7-2-1-3-8-18/h6,9,14-15H,1-5,7-8,10-13H2,(H,19,23)(H,20,21)/t14-,15+/m1/s1
InChIKeyNGPZRMVERJQOIT-CABCVRRESA-N
XLogP2.37
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 124615352) is (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(NC[C@H]1COC2(CCCCC2)O1)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is NGPZRMVERJQOIT-CABCVRRESA-N. The full InChI is InChI=1S/C18H28N4O3/c23-17(22-10-4-5-14(12-22)16-6-9-20-21-16)19-11-15-13-24-18(25-15)7-2-1-3-8-18/h6,9,14-15H,1-5,7-8,10-13H2,(H,19,23)(H,20,21)/t14-,15+/m1/s1.
What are the key properties of (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124615352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).