N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide

C20H24N4O2 — CID 124781029

IUPACN-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncccn3)C2)O1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c25-18(16-6-2-1-3-7-16)23-14-17-8-4-9-20(26-17)10-13-24(15-20)19-21-11-5-12-22-19/h1-3,5-7,11-12,17H,4,8-10,13-15H2,(H,23,25)/t17-,20-/m0/s1
InChIKeyYYDZFPIPIXXZRU-PXNSSMCTSA-N
MW352.44 g/mol
LogP2.42
Rot. Bonds4

About N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide

N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide (PubChem CID 124781029) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
PubChem CID124781029
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncccn3)C2)O1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c25-18(16-6-2-1-3-7-16)23-14-17-8-4-9-20(26-17)10-13-24(15-20)19-21-11-5-12-22-19/h1-3,5-7,11-12,17H,4,8-10,13-15H2,(H,23,25)/t17-,20-/m0/s1
InChIKeyYYDZFPIPIXXZRU-PXNSSMCTSA-N
XLogP2.42
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5R,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155837511
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[(5S,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide
CID 124803680
N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155833747
N-[[(5R,7R)-2-cyclobutyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155855697
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[(5R,7S)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155861602
N-[[(5R,7R)-2-methylsulfonyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrazine-2-carboxamide
CID 97474788
N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
CID 97476450
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363

Frequently Asked Questions

What is the IUPAC name of N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide?
The IUPAC name of N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide (CID 124781029) is N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide.
What is the SMILES notation for N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide?
The canonical SMILES for N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide is O=C(NC[C@@H]1CCC[C@@]2(CCN(c3ncccn3)C2)O1)c1ccccc1.
What is the InChIKey of N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide?
The InChIKey is YYDZFPIPIXXZRU-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18(16-6-2-1-3-7-16)23-14-17-8-4-9-20(26-17)10-13-24(15-20)19-21-11-5-12-22-19/h1-3,5-7,11-12,17H,4,8-10,13-15H2,(H,23,25)/t17-,20-/m0/s1.
What are the key properties of N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide?
N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S,7S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide is sourced from PubChem (CID 124781029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).