(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane

C21H32N2O2 — CID 124797468

IUPAC(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
SMILESc1coc(CN2CC[C@@]3(C2)CN(CC2CC2)C[C@H]3COCC2CC2)c1
InChIInChI=1S/C21H32N2O2/c1-2-20(25-9-1)12-22-8-7-21(15-22)16-23(10-17-3-4-17)11-19(21)14-24-13-18-5-6-18/h1-2,9,17-19H,3-8,10-16H2/t19-,21+/m0/s1
InChIKeyVQNVCLXANKJDKF-PZJWPPBQSA-N
MW344.50 g/mol
LogP3.24
Rot. Bonds8

About (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane

(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 124797468) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID124797468
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
SMILESc1coc(CN2CC[C@@]3(C2)CN(CC2CC2)C[C@H]3COCC2CC2)c1
InChIInChI=1S/C21H32N2O2/c1-2-20(25-9-1)12-22-8-7-21(15-22)16-23(10-17-3-4-17)11-19(21)14-24-13-18-5-6-18/h1-2,9,17-19H,3-8,10-16H2/t19-,21+/m0/s1
InChIKeyVQNVCLXANKJDKF-PZJWPPBQSA-N
XLogP3.24
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-2-ylmethyl)-4-(methoxymethyl)-2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859618
[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
CID 97486317
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487163
(4R,5S)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124793847
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
(4S,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487490
(4R,5R)-7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97487085
(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(3-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97487027
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155843349

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane (CID 124797468) is (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane is c1coc(CN2CC[C@@]3(C2)CN(CC2CC2)C[C@H]3COCC2CC2)c1.
What is the InChIKey of (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is VQNVCLXANKJDKF-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-2-20(25-9-1)12-22-8-7-21(15-22)16-23(10-17-3-4-17)11-19(21)14-24-13-18-5-6-18/h1-2,9,17-19H,3-8,10-16H2/t19-,21+/m0/s1.
What are the key properties of (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane?
(4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 344.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124797468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).