(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H30N6O — CID 97156335

IUPAC(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(CCCn3cnnn3)C2)CN1CCc1ccccc1
InChIInChI=1S/C21H30N6O/c28-20-8-11-21(17-26(20)15-9-19-6-2-1-3-7-19)10-4-12-25(16-21)13-5-14-27-18-22-23-24-27/h1-3,6-7,18H,4-5,8-17H2/t21-/m0/s1
InChIKeyCURRQTKVIPAJBG-NRFANRHFSA-N
MW382.51 g/mol
LogP2.01
Rot. Bonds7

About (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97156335) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97156335
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(CCCn3cnnn3)C2)CN1CCc1ccccc1
InChIInChI=1S/C21H30N6O/c28-20-8-11-21(17-26(20)15-9-19-6-2-1-3-7-19)10-4-12-25(16-21)13-5-14-27-18-22-23-24-27/h1-3,6-7,18H,4-5,8-17H2/t21-/m0/s1
InChIKeyCURRQTKVIPAJBG-NRFANRHFSA-N
XLogP2.01
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97137999
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357
8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863973
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
(6R)-8-(furan-2-ylmethyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580176
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
8-cyclopentyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70707226
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72880462
8-methyl-2-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 154887458
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97156335) is (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(CCCn3cnnn3)C2)CN1CCc1ccccc1.
What is the InChIKey of (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is CURRQTKVIPAJBG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N6O/c28-20-8-11-21(17-26(20)15-9-19-6-2-1-3-7-19)10-4-12-25(16-21)13-5-14-27-18-22-23-24-27/h1-3,6-7,18H,4-5,8-17H2/t21-/m0/s1.
What are the key properties of (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(2-phenylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97156335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).