8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C23H29N3O — CID 91578541

IUPAC8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O/c27-22-23(12-17-26(22)19-21-8-4-13-24-18-21)10-15-25(16-11-23)14-5-9-20-6-2-1-3-7-20/h1-4,6-8,13,18H,5,9-12,14-17,19H2
InChIKeyHOSGRHPYJXNCKO-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.53
Rot. Bonds6

About 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 91578541) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID91578541
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CCC12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O/c27-22-23(12-17-26(22)19-21-8-4-13-24-18-21)10-15-25(16-11-23)14-5-9-20-6-2-1-3-7-20/h1-4,6-8,13,18H,5,9-12,14-17,19H2
InChIKeyHOSGRHPYJXNCKO-UHFFFAOYSA-N
XLogP3.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentanecarboxamide;8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142988082
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-3-carboxamide
CID 59999188
8-[(1-methylimidazol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155827999
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
N-[3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]thiophene-2-carboxamide
CID 59999071
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491
2-ethyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 171697221
9-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897204
tert-butyl N-[1-(2-hydroxyphenyl)-3-[1-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]propyl]carbamate
CID 142987993
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42521731

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 91578541) is 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccnc2)CCC12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HOSGRHPYJXNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-22-23(12-17-26(22)19-21-8-4-13-24-18-21)10-15-25(16-11-23)14-5-9-20-6-2-1-3-7-20/h1-4,6-8,13,18H,5,9-12,14-17,19H2.
What are the key properties of 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 363.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 91578541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).