1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide

C20H26N4O3 — CID 95870290

IUPAC1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)CC1
InChIInChI=1S/C20H26N4O3/c21-17(26)20(8-9-20)18(27)23-11-3-6-19(13-23)7-5-16(25)24(14-19)12-15-4-1-2-10-22-15/h1-2,4,10H,3,5-9,11-14H2,(H2,21,26)/t19-/m0/s1
InChIKeyWXIYKZDIZPESHB-IBGZPJMESA-N
MW370.45 g/mol
LogP1.08
Rot. Bonds4

About 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide

1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide (PubChem CID 95870290) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
PubChem CID95870290
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)CC1
InChIInChI=1S/C20H26N4O3/c21-17(26)20(8-9-20)18(27)23-11-3-6-19(13-23)7-5-16(25)24(14-19)12-15-4-1-2-10-22-15/h1-2,4,10H,3,5-9,11-14H2,(H2,21,26)/t19-/m0/s1
InChIKeyWXIYKZDIZPESHB-IBGZPJMESA-N
XLogP1.08
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
butyl 3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 70776392
3-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]imidazolidine-2,4-dione
CID 97275492
(6S)-8-(2-propan-2-yloxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869134
N-butyl-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70757374
(6R)-8-(3-ethoxypropanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896513
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6S)-8-(6-oxo-1H-pyrimidine-5-carbonyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871019
2-[(5-methylpyrazin-2-yl)methyl]-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72886785
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867395

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide (CID 95870290) is 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide is NC(=O)C1(C(=O)N2CCC[C@]3(CCC(=O)N(Cc4ccccn4)C3)C2)CC1.
What is the InChIKey of 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is WXIYKZDIZPESHB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N4O3/c21-17(26)20(8-9-20)18(27)23-11-3-6-19(13-23)7-5-16(25)24(14-19)12-15-4-1-2-10-22-15/h1-2,4,10H,3,5-9,11-14H2,(H2,21,26)/t19-/m0/s1.
What are the key properties of 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide?
1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95870290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).