methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid

C19H31N3O2 — CID 161215347

IUPACmethane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
SMILESC.O=C(O)CN1CCC2(CCN(CCc3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2.CH4/c22-17(23)15-21-13-6-18(7-14-21)4-11-20(12-5-18)10-3-16-1-8-19-9-2-16;/h1-2,8-9H,3-7,10-15H2,(H,22,23);1H4
InChIKeyUWUAFAGIFSNIHG-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.52
Rot. Bonds5

About methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid

methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid (PubChem CID 161215347) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid.

Molecular Properties

Compound Namemethane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
PubChem CID161215347
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Namemethane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
SMILESC.O=C(O)CN1CCC2(CCN(CCc3ccncc3)CC2)CC1
InChIInChI=1S/C18H27N3O2.CH4/c22-17(23)15-21-13-6-18(7-14-21)4-11-20(12-5-18)10-3-16-1-8-19-9-2-16;/h1-2,8-9H,3-7,10-15H2,(H,22,23);1H4
InChIKeyUWUAFAGIFSNIHG-UHFFFAOYSA-N
XLogP2.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
1'-(2-pyridin-4-ylethyl)spiro[indene-1,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171321288
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
2-[4-[2-(4-aminophenyl)ethyl]-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 89349171
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
tert-butyl 4-(2-pyridin-4-ylethyl)piperazine-1-carboxylate
CID 22321631
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
1-(2-pyridin-4-ylethyl)azetidine-3-carboxamide;hydrochloride
CID 174984576
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298

Frequently Asked Questions

What is the IUPAC name of methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid?
The IUPAC name of methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid (CID 161215347) is methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid.
What is the SMILES notation for methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid?
The canonical SMILES for methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid is C.O=C(O)CN1CCC2(CCN(CCc3ccncc3)CC2)CC1.
What is the InChIKey of methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid?
The InChIKey is UWUAFAGIFSNIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.CH4/c22-17(23)15-21-13-6-18(7-14-21)4-11-20(12-5-18)10-3-16-1-8-19-9-2-16;/h1-2,8-9H,3-7,10-15H2,(H,22,23);1H4.
What are the key properties of methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid?
methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid has a molecular weight of 333.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid is sourced from PubChem (CID 161215347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).