N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide

C19H32N2O2 — CID 124862277

IUPACN-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1)C1CC1
InChIInChI=1S/C19H32N2O2/c22-18(15-4-5-15)20-16-7-12-21(13-8-16)14-17-6-11-19(23-17)9-2-1-3-10-19/h15-17H,1-14H2,(H,20,22)/t17-/m0/s1
InChIKeyMFSXNQDIFDYCQV-KRWDZBQOSA-N
MW320.48 g/mol
LogP2.86
Rot. Bonds4

About N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 124862277) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID124862277
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1)C1CC1
InChIInChI=1S/C19H32N2O2/c22-18(15-4-5-15)20-16-7-12-21(13-8-16)14-17-6-11-19(23-17)9-2-1-3-10-19/h15-17H,1-14H2,(H,20,22)/t17-/m0/s1
InChIKeyMFSXNQDIFDYCQV-KRWDZBQOSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide (CID 124862277) is N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1)C1CC1.
What is the InChIKey of N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is MFSXNQDIFDYCQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O2/c22-18(15-4-5-15)20-16-7-12-21(13-8-16)14-17-6-11-19(23-17)9-2-1-3-10-19/h15-17H,1-14H2,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 320.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 124862277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).