1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one

C24H31N3O — CID 97393132

IUPAC1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CC[C@@]2(CCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C24H31N3O/c28-23(11-10-22-8-4-14-25-18-22)27-17-13-24(20-27)12-16-26(19-24)15-5-9-21-6-2-1-3-7-21/h1-4,6-8,14,18H,5,9-13,15-17,19-20H2/t24-/m1/s1
InChIKeyCJQHCLOWDUDTDV-XMMPIXPASA-N
MW377.53 g/mol
LogP3.57
Rot. Bonds7

About 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one

1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 97393132) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID97393132
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CC[C@@]2(CCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C24H31N3O/c28-23(11-10-22-8-4-14-25-18-22)27-17-13-24(20-27)12-16-26(19-24)15-5-9-21-6-2-1-3-7-21/h1-4,6-8,14,18H,5,9-13,15-17,19-20H2/t24-/m1/s1
InChIKeyCJQHCLOWDUDTDV-XMMPIXPASA-N
XLogP3.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-[7-(cyclopentylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 118746887
1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 45215852
1-[2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 97392779
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42508168
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125003770
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one
CID 45210811
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
CID 126426416
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one (CID 97393132) is 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CC[C@@]2(CCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is CJQHCLOWDUDTDV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N3O/c28-23(11-10-22-8-4-14-25-18-22)27-17-13-24(20-27)12-16-26(19-24)15-5-9-21-6-2-1-3-7-21/h1-4,6-8,14,18H,5,9-13,15-17,19-20H2/t24-/m1/s1.
What are the key properties of 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one?
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 377.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 97393132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).